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豆甾烷醇(P) | 83-45-4

豆甾烷醇(P)
Stigmastanol
83-45-4
C29H52O
416.722589492798
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:豆甾烷醇(P)结构式
241572
豆甾烷醇(P)价格
简介
Stigmastanol 是从 Hypericum riparium 中分离得到的 6-氨基衍生物。Hypericum riparium 是一种药用植物,属于杜仲科。
名称和标识符
MDL MFCD11109453
InChIKey LGJMUZUPVCAVPU-HRJGVYIJSA-N
Inchi 1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
SMILES C[C@@]12[C@@H]([C@H](C)CC[C@@H](CC)C(C)C)CC[C@H]1[C@@H]1CC[C@H]3C[C@H](CC[C@]3(C)[C@H]1CC2)O
别名信息
- 中文别名 -
  • 24乙基5α(H)-cholestan-3-醇(β谷甾烷醇)
  • 豆甾醇
  • 豆甾烷醇
  • 豆甾烷醇(P)
- 英文别名 -
  • Stigmastan-3-ol, (3b,5a)-
  • ß-sitostanol
  • ?-sitostanol
  • 24-Ethyl-5α(H)-cholestan-3ß-ol (β-Sitostanol)
  • STIGMASTANOL
  • STIGMASTANOL(P)
  • STIGMASTANOL(P) PrintBack
  • STIGMASTANOL(SG)
  • (3BETA,5ALPHA)-STIGMASTAN-3-OL
  • FUCOSTANOL
  • SPINASTANOL
  • (3β)-stigmastan-3-ol
  • (3β,5α)-stigmastan-3-ol
  • dihydrositosterol
  • Stigmastanol
  • (3β,5α)-Stigmastan-3-ol (ACI)
  • 5α-Stigmastan-3β-ol (6CI, 7CI, 8CI)
  • 24α-Ethylcholestanol
  • 3β-Sitostanol
  • 5,6-Dihydro-β-sitosterol
  • Dihydro-β-sitosterol
  • Dihydrositosterin
  • Dihydrositosterol
  • Fucostanol
  • NSC 49081
  • Sitostanol
  • Spinastanol
  • β-Sitostanol
  • β-Sitosterol, dihydro-
  • LGJMUZUPVCAVPU-HRJGVYIJSA-N
  • MS-27267
  • 138126-65-5
  • SCHEMBL133725
  • A)-
  • Stigmastan-3-ol,5.alpha.)-
  • Q3973521
  • A,5
  • Stigmastane-3-beta-ol
  • Stigmastan-3-ol, (3?,5?)-
  • F82244
  • SITOSTANOL [MART.]
  • Dihydro-beta-sitosterol
  • STIGMASTANOL [MI]
  • Stigmastan-3-ol, (3beta,5alpha)-
  • (3.BETA.,5.ALPHA.)-STIGMASTAN-3-OL
  • .beta.-Sitostanol
  • CHEBI:89400
  • STIGMASTANOL (CONSTITUENT OF SAW PALMETTO)
  • Stigmastan-3-ol,(3b)-
  • 24 alpha-ethyl-5alpha-choestan-3beta-ol
  • HY-113494
  • sitostanol
  • NSC-49081
  • .beta.-Sitosterol, dihydro-
  • (3S,10S,13R,17R)-17-((1R,4R)-4-Ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol
  • (3 beta,5 alpha)-stigmastan-3-ol
  • STIGMASTANOL [WHO-DD]
  • Dihydro-.beta.-sitosterol
  • 1ST000826
  • (3beta,5alpha)-Stigmastan-3-ol
  • (3beta,5alpha,20S)-stigmastan-3-ol
  • Stigmastanol, >=95%
  • NSC49081
  • (5alpha)-stigmastan-3beta-ol
  • UNII-C2NJ9WO6O7
  • SITOSTANOL (MART.)
  • 5.alpha.-Stigmastan-3.beta.-ol
  • CHEMBL252364
  • 83-45-4
  • C2NJ9WO6O7
  • LMST01040266
  • EINECS 201-479-0
  • beta-Sitosterol, dihydro-
  • Stigmastan-3-ol, (3b)-
  • DTXSID201016169
  • 24alpha-Ethylcholestanol
  • 5,6-Dihydro-beta-sitosterol
  • DTXSID50860237
  • 5alpha-Stigmastan-3beta-ol
  • (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
  • 24.ALPHA.-ETHYLCHOLESTANOL
  • Stigmastan-3-ol
  • Stigmastan-3-ol, (3
  • CS-0062392
  • Dihydro-sitosterol
  • (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
  • AKOS016036225
  • C19644
  • beta-Sitostanol
  • STIGMASTANOL (CONSTITUENT OF SAW PALMETTO) [DSC]
  • stigmastanol
  • dihydrositosterol
  • (3β)-stigmastan-3-ol
  • (3β,5α)-stigmastan-3-ol
  • 5,6-dihydro-beta-sitosterol
  • 19043-95-9
  • 24-ethyl-5beta-cholestan-3beta-ol
  • 84472-32-2
  • 4736-91-8
  • 24alpha-ethylcholestanol
  • (3beta,5alpha)-stigmastan-3-ol
  • fucostanol
  • 55529-51-6
  • dihydrositosterin
  • 78419-36-0
  • 387-80-4
  • 19466-47-8
  • stigmastanol
  • (3S)-17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
物化性质
实验特性
LogP 8.10470
PSA 20.23000
折射率 1.5000 (estimate)
沸点 474.98°C (rough estimate)
熔点 144°C
蒸气压 0.0±2.7 mmHg at 25°C
闪点 197.1±12.3 °C
密度 0.9444 (rough estimate)
计算特性
精确分子量 416.40200
氢键供体数量 1
氢键受体数量 1
可旋转化学键数量 6
同位素质量 416.401816278g/mol
重原子数量 30
复杂度 583
同位素原子数量 0
确定原子立构中心数量 10
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 10.2
拓扑分子极性表面积 20.2Ų
合成路线

合成路线:1 步

反应条件:
参考文献:
Integrated modelling of reaction and catalyst deactivation kinetics-Hydrogenation of sitosterol to sitostanol over a palladium catalyst
Salmi, Tapio; et al, Chemical Engineering Science, 2013, 104, 156-165

合成路线:1 步

反应条件:
参考文献:
Catalyst deactivation in selective hydrogenation of β-sitosterol to β-sitostanol over palladium
Lindroos, Minna; et al, Chemical Industries (Dekker), 2003, 89, 587-594

合成路线:1 步

反应条件:
参考文献:
An assay for DNA polymerase β lyase inhibitors that engage the catalytic nucleophile for binding
Daskalova, Sasha M.; et al, Bioorganic & Medicinal Chemistry, 2020, 28(17),

合成路线:1 步

反应条件:
参考文献:
Nickel-Catalyzed Alkyl-Alkyl Cross-Electrophile Coupling Reaction of 1,3-Dimesylates for the Synthesis of Alkylcyclopropanes
Sanford, Amberly B.; et al, Journal of the American Chemical Society, 2020, 142(11), 5017-5023

合成路线:1 步

反应条件:
参考文献:
Novel approach to determining the absolute configurations at the C3-positions of various types of sterols based on an induced circular dichroism
Fujiwara, Toshio; et al, Steroids, 2012, 77(12), 1198-1204

合成路线:1 步

反应条件:
参考文献:
Stanol synthesis from palm oil distillate
Chuanphongpanich, Sarunya; et al, Chiang Mai Journal of Science, 2006, 33(1), 109-116

合成路线:1 步

反应条件:
参考文献:
Isolation of ovulatory-active substances from crops of Job's tears (Coix lacryma-jobi L. var. ma-yuen Stapf.)
Kondo, Yoshikazu; et al, Chemical & Pharmaceutical Bulletin, 1988, 36(8), 3147-52

合成路线:1 步

反应条件:
参考文献:
Novel human umbilical vein endothelial cells (HUVEC)-apoptosis inhibitory phytosterol analogues: Insight into their structure-activity relationships
Lee, Sujin; et al, Archives of Pharmacal Research, 2012, 35(3), 455-460

合成路线:2 步

反应条件:
参考文献:
Isolation of ovulatory-active substances from crops of Job's tears (Coix lacryma-jobi L. var. ma-yuen Stapf.)
Kondo, Yoshikazu; et al, Chemical & Pharmaceutical Bulletin, 1988, 36(8), 3147-52

合成路线:1 步

反应条件:
参考文献:
Modeling and Scale-up of Sitosterol Hydrogenation Process: From Laboratory Slurry Reactor to Plant Scale
Waern, Johan; et al, Industrial & Engineering Chemistry Research, 2006, 45(21), 7067-7076
专业数据库参考
PubChemId 241572
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