(2α,4β,5β,8α,9β,10α,13α,14β,20α)-2-Hydroxy-5,9,13-trimethyl-3-oxo-24,25,26-trinoroleanan-29-oic acid

CAS Registry Number®

158629-70-0
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CAS Name

(2α,4β,5β,8α,9β,10α,13α,14β,20α)-2-Hydroxy-5,9,13-trimethyl-3-oxo-24,25,26-trinoroleanan-29-oic acid

Molecular Formula

C30H48O4

Molecular Mass

472.70

Cite this Page

(2α,4β,5β,8α,9β,10α,13α,14β,20α)-2-Hydroxy-5,9,13-trimethyl-3-oxo-24,25,26-trinoroleanan-29-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=158629-70-0 (retrieved 2024-09-19) (CAS RN: 158629-70-0).  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(32)19(31)16-21-27(18,4)9-8-20-28(21,5)13-15-30(7)22-17-26(3,24(33)34)11-10-25(22,2)12-14-29(20,30)6/h18-22,31H,8-17H2,1-7H3,(H,33,34)/t18-,19+,20-,21+,22+,25+,26+,27+,28+,29+,30-/m0/s1

InChIKey

InChIKey=KVLFXTHBJNNYDP-KWDXJSKJSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](C)(CC1)[C@]4([C@@](C)(CC3)CC[C@](C(O)=O)(C)C4)[H])(CC[C@@]5(C)[C@]2(C[C@@H](O)C(=O)[C@@H]5C)[H])[H]

Canonical SMILES

O=C(O)C1(C)CCC2(C)CCC3(C)C4CCC5(C)C(C(=O)C(O)CC5C4(C)CCC3(C)C2C1)C

Other Names for this Substance

  • 24,25,26-Trinoroleanan-29-oic acid, 2-hydroxy-5,9,13-trimethyl-3-oxo-, (2α,4β,5β,8α,9β,10α,13α,14β,20α)-
  • D:A-Friedooleanan-29-oic acid, 2-hydroxy-3-oxo-, (2α,20α)-
  • (2α,4β,5β,8α,9β,10α,13α,14β,20α)-2-Hydroxy-5,9,13-trimethyl-3-oxo-24,25,26-trinoroleanan-29-oic acid
  • 2α-Hydroxypopulnonic acid
  • Wilforic acid C

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