(3β,7α)-3,7-Dihydroxyurs-12-en-28-oic acid
CAS Registry Number®
28348-90-5
CAS Name
(3β,7α)-3,7-Dihydroxyurs-12-en-28-oic acidMolecular Formula
C30H48O4Molecular Mass
472.70Cite this Page
(3β,7α)-3,7-Dihydroxyurs-12-en-28-oic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=28348-90-5 (retrieved ) (CAS RN: 28348-90-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(24(30)18(17)2)8-9-20-27(5)12-11-22(31)26(3,4)21(27)16-23(32)29(20,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22+,23-,24+,27-,28-,29+,30+/m1/s1
InChIKey
InChIKey=DZLAZTJTKXGAGR-ZULNDKKXSA-N
SMILES
C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CC[C@@H](C)[C@@H]4C)[H])=CC[C@@]1([C@]5(C)[C@@](C[C@H]2O)(C(C)(C)[C@@H](O)CC5)[H])[H]
Canonical SMILES
O=C(O)C12CCC(C)C(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CC(O)C4(C)C3(C)CC1
Other Names for this Substance
- Urs-12-en-28-oic acid, 3,7-dihydroxy-, (3β,7α)-
- (3β,7α)-3,7-Dihydroxyurs-12-en-28-oic acid
- Rubitic acid