(1β,3β,13α)-1-Hydroxy-3-[(4-hydroxybenzoyl)oxy]-13-methyl-27-norolean-14-en-28-oic acid

CAS Registry Number®

155510-77-3

CAS Name

(1β,3β,13α)-1-Hydroxy-3-[(4-hydroxybenzoyl)oxy]-13-methyl-27-norolean-14-en-28-oic acid

Molecular Formula

C37H52O6

Molecular Mass

592.81

Cite this Page

(1β,3β,13α)-1-Hydroxy-3-[(4-hydroxybenzoyl)oxy]-13-methyl-27-norolean-14-en-28-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=155510-77-3 (retrieved 2024-11-22) (CAS RN: 155510-77-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H52O6/c1-32(2)18-19-37(31(41)42)17-14-25-34(5)15-12-24-33(3,4)29(43-30(40)22-8-10-23(38)11-9-22)20-28(39)36(24,7)26(34)13-16-35(25,6)27(37)21-32/h8-11,14,24,26-29,38-39H,12-13,15-21H2,1-7H3,(H,41,42)/t24-,26-,27-,28+,29-,34-,35+,36-,37+/m0/s1

InChIKey

InChIKey=VGODRAUARQJBJM-FCWPOGGHSA-N

SMILES

C[C@]12C([C@@]3(C)[C@](CC1)([C@]4(C)[C@@](CC3)(C(C)(C)[C@@H](OC(=O)C5=CC=C(O)C=C5)C[C@H]4O)[H])[H])=CC[C@]6(C(O)=O)[C@]2(CC(C)(C)CC6)[H]

Canonical SMILES

O=C(OC1CC(O)C2(C)C3CCC4(C(=CCC5(C(=O)O)CCC(C)(C)CC45)C3(C)CCC2C1(C)C)C)C6=CC=C(O)C=C6

Other Names for this Substance

  • 27-Norolean-14-en-28-oic acid, 1-hydroxy-3-[(4-hydroxybenzoyl)oxy]-13-methyl-, (1β,3β,13α)-
  • D-Friedoolean-14-en-28-oic acid, 1-hydroxy-3-[(4-hydroxybenzoyl)oxy]-, (1β,3β)-
  • (1β,3β,13α)-1-Hydroxy-3-[(4-hydroxybenzoyl)oxy]-13-methyl-27-norolean-14-en-28-oic acid

CAS INSIGHTSTM
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