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Merck
CN

260746

Sigma-Aldrich

毛地黄皂苷

别名:

Digitin

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关于此项目

经验公式（希尔记法）:
C56H92O29
CAS Number:
11024-24-1
分子量:
1229.31
Beilstein:
78654
EC 号:
234-255-6
MDL编号:
MFCD00077729
UNSPSC代码:
12352103
PubChem化学物质编号:
329752851

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旋光性

[α]20/D −50.1°, c = 1 in acetic acid: water (3:1)

分子量

micellar avg mol wt 70,000

聚集数

60

CMC

<0.5 mM (20-25°C)

mp

230-240 °C (dec.) (lit.)

SMILES字符串

C[C@@]12[C@]([C@@H]3C)([H])[C@](O[C@]34CC[C@@H](C)CO4)([H])[C@@H](O)[C@@]1([H])[C@@](CC[C@]5([H])[C@@]6(C[C@@H](O)[C@H](O[C@]([C@@H]([C@@H](O)[C@H]7O[C@@](O[C@H](CO)[C@@H](O)[C@@H]8O[C@@](OC[C@@H](O)[C@@H]9O)([H])[C@@H]9O)([H])[C@@H]8O[C@@](O[C@H](CO)[C@H

InChI

1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3/t19-,20+,21+,22-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32-,33+,34-,35+,36-,37+,38+,39-,40-,41-,42-,43-,44+,45-,46+,47+,48-,49+,50-,51+,52+,53+,54-,55+,56-/m1/s1

InChI key

UVYVLBIGDKGWPX-KUAJCENISA-N

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07102TV
16101JR
16022PN
10721DF
09826LG

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