Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, aluminum salt (3:1), (3β,20β)-
CAS Registry Number®
4598-66-7
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CAS Name
Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, aluminum salt (3:1), (3β,20β)-Molecular Formula
C30H46O4.1/3AlCite this Page
Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, aluminum salt (3:1), (3β,20β)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=4598-66-7 (retrieved ) (CAS RN: 4598-66-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C30H46O4.Al/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6;/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34);/t19-,21-,22-,23+,26+,27-,28-,29+,30+;/m0./s1
InChIKey
InChIKey=YYXDAXCHDVZYCC-IHMBCTQLSA-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(C)[C@]4(C[C@](C(O)=O)(C)CC5)[H])[H].[Al]
Canonical SMILES
[Al].O=C(O)C1(C)CCC2(C)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-hydroxy-11-oxo-, aluminum salt (3:1), (3β,20β)-
- Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-, aluminum salt
