Urs-12-en-28-oic acid, 7-hydroxy-3-oxo-, (7α)-
CAS Registry Number®
94662-96-1
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CAS Name
Urs-12-en-28-oic acid, 7-hydroxy-3-oxo-, (7α)-Molecular Formula
C30H46O4Molecular Mass
470.68Cite this Page
Urs-12-en-28-oic acid, 7-hydroxy-3-oxo-, (7α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=94662-96-1 (retrieved ) (CAS RN: 94662-96-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C30H46O4/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/h8,17-18,20-21,23-24,32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,23-,24+,27-,28-,29+,30+/m1/s1
InChIKey
InChIKey=MFYBXHRQBFYAQZ-NVTJHPQGSA-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(=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, 7-hydroxy-3-oxo-, (7α)-
- (+)-Rubinic acid
- Rubinic acid