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Substance Name: Cholan-24-oic acid, 3,6,7-trihydroxy-, (3alpha,5beta,6beta,7alpha)-
RN: 2393-58-0
InChIKey: DKPMWHFRUGMUKF-GDYCBZMLSA-N

Molecular Formula

  • C24-H40-O5

Molecular Weight

  • 408.575
 
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Names and Synonyms

  • Cholan-24-oic acid, 3,6,7-trihydroxy-, (3alpha,5beta,6beta,7alpha)-

Registry Numbers

CAS Registry Number

  • 2393-58-0

System Generated Number

  • 0002393580

Structure Descriptors

InChI

1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21+,22+,23-,24-/m1/s1

InChIKey

DKPMWHFRUGMUKF-GDYCBZMLSA-N

Smiles

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C