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- 168293-13-8
168293-13-8
（name: 3-O-Acetyl-16alpha-hydroxytrametenolic acid）
Product name：3-O-Acetyl-16alpha-hydroxytrametenolic acid
CAS No：168293-13-8
MF：C32H50O5
MW：514.7364
CID：220086
PubChem ID：15226712
3-o-acetyl-16 α- Hydroxytrimetenolic acid (compound 3) is a terpenoid in Poria cocos, which has antioxidant \ anticancer activities
- Lanosta-8,24-dien-21-oicacid, 3-(acetyloxy)-16-hydroxy-, (3b,16a)-
- 3-O-Acetyl-16a-hydroxytrametenolic acid
- 3-O-Acetyl-16 alpha-hydroxytrametenolic acid
- 3-O-Acetyl-16α-hydroxytrametenolic acid
- 3-0-Acetgl-162-hgdr0xgtrametenolicacid
- Trametenolic acid, 3-O-acetyl-16-alpha-hydroxy-
- 3-O-Acetyl-16alpha-hydroxytrametenolic acid
- (2R)-2-[(3S,10S,13R,14R,16R,17R)-3-Acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,
- FT-0775457
- PD125373
- 2-(3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylhept-5-enoic acid
- 168293-13-8
- HY-N2994
- 3-O-Acetyl-16
- CS-0023652
- AKOS032946037
- CHEBI:198704
- A-hydroxytrametenolic acid
- MS-29564
- (2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
- PD125372
- Formipinic acid C
- DTXSID501346618
- DA-49618
- (2R)-2-[(3S,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
- CCRIS 7793
- InChIKey：SRDNLMOBFKJOSD-COLBUHOESA-N
- Inchi：1S/C32H50O5/c1-19(2)10-9-11-21(28(35)36)27-24(34)18-32(8)23-12-13-25-29(4,5)26(37-20(3)33)15-16-30(25,6)22(23)14-17-31(27,32)7/h10,21,24-27,34H,9,11-18H2,1-8H3,(H,35,36)/t21-,24-,25?,26+,27+,30-,31-,32+/m1/s1
- SMILES：O([H])[C@]1([H])C([H])([H])[C@@]2(C([H])([H])[H])C3C([H])([H])C([H])([H])C4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C=3C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]1([H])[C@]([H])(C(=O)O[H])C([H])([H])C([H])([H])/C(/[H])=C(\C([H])([H])[H])/C([H])([H])[H])OC(C([H])([H])[H])=O
Computed Properties
- Exact Mass: 514.7g/mol
- Surface Charge: 0
- XLogP3: 6.7
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Rotatable Bond Count: 7
- Monoisotopic Mass: 514.365825g/mol
- Monoisotopic Mass: 514.365825g/mol
- Topological Polar Surface Area: 83.8Ų
- Heavy Atom Count: 37
- Complexity: 1000
- Isotope Atom Count: 0
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Covalently-Bonded Unit Count: 1
Experimental Properties
- Boiling Point: 606.9±55.0 °C at 760 mmHg
- Melting Point: >300 ºC
- Vapor Pressure: 0.0±3.9 mmHg at 25°C
- Flash Point: 185.1±25.0 °C
- Solubility: Insuluble (1.1E-5 g/L) (25 ºC),
- Color/Form: Powder
- Density: 1.11±0.1 g/cm3 (20 ºC 760 Torr),
- Safety Instruction：H303 may be harmful by ingestion +h313 may be harmful by skin contact +h2413 may be harmful by inhalation
- Hazard Statement：H303 may be harmful by ingestion +h313 may be harmful by skin contact +h2413 may be harmful by inhalation
- Warning Statement：P264 wash thoroughly after treatment +p280 wear protective gloves / wear protective clothing / wear protective eye masks / wear protective masks +p305 if in eyes +p351 rinse carefully with water for a few minutes +p338 remove contact lenses (if any) and easy to operate, continue rinsing +p337 if eye irritation persists +p2393 get medical advice / care
- Storage Condition：4 ° C, protected from light * in solvent solution: -80 ° C, 6 months- 20 ° C, 1 month (protected from light)
- Signal Word：warning
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(CAS:168293-13-8)3-O-Acetyl-16alpha-hydroxytrametenolic acidA1201004in Stock/in Stock99%/99%10mg/25mgInquiry/Inquiry30 August 2024Product IntroductionAmadis Chemical Company LimitedContact & Address Information网周路99号
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