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

C30H46O4

Molecular Mass

470.68

Cite 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 2024-09-19) (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