Lucidenic acid B

CAS Registry Number®

95311-95-8
No image available.

CAS Name

Lucidenic acid B

Molecular Formula

C27H38O7

Molecular Mass

474.59

Cite this Page

Lucidenic acid B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=95311-95-8 (retrieved 2024-08-17) (CAS RN: 95311-95-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H38O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-16,23,28,34H,7-12H2,1-6H3,(H,31,32)/t13-,14-,15+,16+,23-,25+,26+,27+/m1/s1

InChIKey

InChIKey=GYRDSOABOBCYST-HFAARYGVSA-N

SMILES

C[C@]12C3=C([C@]4(C)[C@@](C[C@@H]3O)(C(C)(C)C(=O)CC4)[H])C(=O)[C@@H](O)[C@]1(C)[C@@]([C@@H](CCC(O)=O)C)(CC2=O)[H]

Canonical SMILES

O=C(O)CCC(C)C1CC(=O)C2(C3=C(C(=O)C(O)C12C)C4(C)CCC(=O)C(C)(C)C4CC3O)C

Other Names for this Substance

  • Chol-8-en-24-oic acid, 7,12-dihydroxy-4,4,14-trimethyl-3,11,15-trioxo-, (5α,7β,12β)-
  • (5α,7β,12β)-7,12-Dihydroxy-4,4,14-trimethyl-3,11,15-trioxochol-8-en-24-oic acid
  • (+)-Lucidenic acid B
  • Lucidenic acid B