20β-Hydroxyursolic acid

CAS Registry Number®

58213-73-3
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CAS Name

20β-Hydroxyursolic acid

Molecular Formula

C30H48O4

Molecular Mass

472.70

Cite this Page

20β-Hydroxyursolic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58213-73-3 (retrieved 2024-09-19) (CAS RN: 58213-73-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H48O4/c1-18-23-19-8-9-21-26(4)12-11-22(31)25(2,3)20(26)10-13-28(21,6)27(19,5)14-16-30(23,24(32)33)17-15-29(18,7)34/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22+,23+,26+,27-,28-,29+,30-/m1/s1

InChIKey

InChIKey=URJPXMKINYSFCX-SXACIEJDSA-N

SMILES

C(O)(=O)[C@]12[C@](C=3[C@@](C)(CC1)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](O)CC5)[H])[H])([C@@H](C)[C@@](C)(O)CC2)[H]

Canonical SMILES

O=C(O)C12CCC(O)(C)C(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Urs-12-en-28-oic acid, 3,20-dihydroxy-, (3β)-
  • (3β)-3,20-Dihydroxyurs-12-en-28-oic acid
  • 20β-Hydroxyursolic acid