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Substance Name: 7,12-Dihydroxy-3-(2-(glucopyranosyl)acetyl)cholan-24-oic acid
RN: 131528-41-1
InChIKey: JCXBHQBUBMRSAZ-VKIZJLMMSA-N

Molecular Weight

  • 596.753
 
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Names and Synonyms

Name of Substance

  • 7,12-Dihydroxy-3-(2-(glucopyranosyl)acetyl)cholan-24-oic acid

Synonyms

  • 7alpha,12alpha-Dihydroxy-3alpha-(2-(beta-D-glucopyranosyl)acetyl)-5beta-cholan-24-oic acid
  • DGACA

Registry Numbers

CAS Registry Number

  • 131528-41-1

System Generated Number

  • 0131528411

Structure Descriptors

InChI

1S/C32H52O10/c1-15(4-7-26(37)38)18-5-6-19-27-20(12-25(36)32(18,19)3)31(2)9-8-16(10-17(31)11-22(27)35)21(34)13-23-28(39)30(41)29(40)24(14-33)42-23/h15-20,22-25,27-30,33,35-36,39-41H,4-14H2,1-3H3,(H,37,38)/t15-,16?,17?,18-,19+,20+,22?,23?,24-,25?,27+,28+,29-,30-,31+,32-/m1/s1

InChIKey

JCXBHQBUBMRSAZ-VKIZJLMMSA-N

Smiles

C1[C@@H](C[C@@H]2C[C@@H]([C@H]3[C@@H]4CC[C@@H]([C@@H](CCC(=O)O)C)[C@@]4(C)[C@@H](C[C@H]3[C@@]2(C1)C)O)O)C(=O)C[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO