升麻素苷 H-1 | 163046-73-9

中文名称：升麻素苷 H-1
英文名称：9,19-Cyclolanost-7-ene-16,23-dione,24,25-epoxy-11-hydroxy-3-(b-D-xylopyranosyloxy)-, (3b,11b,24R)-
CAS No.：163046-73-9 分子式：C₃₅H₅₂O₉ 分子量：674.81800
植物源：升麻
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击：升麻素苷 H-1结构式
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升麻素苷 H-1的其他展现形式

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名称和标识符

InChIKey	PYBFXJMIKJNNAJ-GLWILYKISA-N
Inchi	InChI=1S/C35H52O9/c1-17(12-18(36)28-31(4,5)44-28)25-19(37)13-32(6)22-9-8-21-30(2,3)24(43-29-27(41)26(40)20(38)15-42-29)10-11-34(21)16-35(22,34)23(39)14-33(25,32)7/h9,17,20-21,23-29,38-41H,8,10-16H2,1-7H3/t17-,20-,21+,23+,24+,25+,26+,27-,28+,29+,32+,33-,34-,35+/m1/s1
SMILES	C[C@H](CC(=O)[C@H]1C(C)(C)O1)[C@H]2C(=O)C[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@H](CC[C@]65C[C@@]46[C@H](C[C@]23C)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O

别名信息

- 中文别名 -

升麻苷 H1 黑升麻苷H-1 升麻素苷H-1(SH) 升麻素苷 H-1

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- 英文别名 -

9,19-Cyclolanost-7-ene-16,23-dione,24,25-epoxy-11-hydroxy-3-(b-D-xylopyranosyloxy)-, (3b,11b,24R)- 9,19-Cyclolanost-7-ene-16,23-dione,24,25-epoxy-11-hydroxy-3-(b-D-xylopyranosyloxy)-, (3b,11b,2... CIMICIFUGOSIDE H-1 CIMICIFUGOSIDE H-1(SH) CiMicifugoside H Cimifugoside H 1

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物化性质

计算特性

精确分子量	674.36700
氢键供体数量	4
氢键受体数量	9
可旋转化学键数量	6
重原子数量	44

实验特性

LogP	2.63390
PSA	172.35000
熔点	260-262 ºC
溶解度	几乎不溶 (0.08 g/L) (25 ºC),
颜色与性状	Powder
密度	1.31±0.1 g/cm3 (20 ºC 760 Torr),

化合物详情（旧版）

扩展阅读

升麻苷 H1 http://www.biopurify.cn/p-2445.html