(3β,13α,14β,20α)-3-[[(2E)-3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-13-methyl-26-noroleana-7,9(11)-dien-29-oic acid

CAS Registry Number®

1038596-65-4

CAS Name

(3β,13α,14β,20α)-3-[[(2E)-3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-13-methyl-26-noroleana-7,9(11)-dien-29-oic acid

Molecular Formula

C39H52O5

Molecular Mass

600.83

Cite this Page

(3β,13α,14β,20α)-3-[[(2E)-3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-13-methyl-26-noroleana-7,9(11)-dien-29-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1038596-65-4 (retrieved 2025-01-20) (CAS RN: 1038596-65-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H52O5/c1-34(2)29-14-13-28-27(37(29,5)18-17-31(34)44-32(41)15-10-25-8-11-26(40)12-9-25)16-19-39(7)30-24-36(4,33(42)43)21-20-35(30,3)22-23-38(28,39)6/h8-13,15-16,29-31,40H,14,17-24H2,1-7H3,(H,42,43)/b15-10+/t29-,30+,31-,35+,36+,37+,38+,39-/m0/s1

InChIKey

InChIKey=NOTQCQMXZCILJE-WYGBHMDXSA-N

SMILES

C[C@]12[C@@](C)(C=3C(=CC1)[C@]4(C)[C@@](CC3)(C(C)(C)[C@@H](OC(/C=C/C5=CC=C(O)C=C5)=O)CC4)[H])CC[C@]6(C)[C@]2(C[C@@](C(O)=O)(C)CC6)[H]

Canonical SMILES

O=C(OC1CCC2(C3=CCC4(C)C5CC(C(=O)O)(C)CCC5(C)CCC4(C3=CCC2C1(C)C)C)C)C=CC6=CC=C(O)C=C6

Other Names for this Substance

  • 26-Noroleana-7,9(11)-dien-29-oic acid, 3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-13-methyl-, (3β,13α,14β,20α)-
  • (3β,13α,14β,20α)-3-[[(2E)-3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-13-methyl-26-noroleana-7,9(11)-dien-29-oic acid