(3β,20β)-3,28-Dihydroxy-11-oxoolean-12-en-29-oic acid
CAS Registry Number®
56061-86-0
CAS Name
(3β,20β)-3,28-Dihydroxy-11-oxoolean-12-en-29-oic acidMolecular Formula
C30H46O5Molecular Mass
486.68Cite this Page
(3β,20β)-3,28-Dihydroxy-11-oxoolean-12-en-29-oic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=56061-86-0 (retrieved ) (CAS RN: 56061-86-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C30H46O5/c1-25(2)21-7-10-29(6)23(27(21,4)9-8-22(25)33)20(32)15-18-19-16-26(3,24(34)35)11-13-30(19,17-31)14-12-28(18,29)5/h15,19,21-23,31,33H,7-14,16-17H2,1-6H3,(H,34,35)/t19-,21-,22-,23+,26-,27-,28+,29+,30+/m0/s1
InChIKey
InChIKey=CWCIIDUCIPKOCX-IYXXEEOVSA-N
SMILES
C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)[C@@H](O)CC3)[H])(C(=O)C=C4[C@@]2(C)CC[C@]5(CO)[C@]4(C[C@](C(O)=O)(C)CC5)[H])[H]
Canonical SMILES
O=C(O)C1(C)CCC2(CO)CCC3(C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1)C
Other Names for this Substance
- Olean-12-en-29-oic acid, 3,28-dihydroxy-11-oxo-, (3β,20β)-
- (3β,20β)-3,28-Dihydroxy-11-oxoolean-12-en-29-oic acid
- 28-Hydroxyglycyrrhetic acid