Polpunonic acid

CAS Registry Number®

33600-93-0

CAS Name

Polpunonic acid

Molecular Formula

C30H48O3

Molecular Mass

456.70

Cite this Page

Polpunonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=33600-93-0 (retrieved 2024-11-22) (CAS RN: 33600-93-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    260-261 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C30H48O3/c1-19-20(31)8-9-21-27(19,4)11-10-22-28(21,5)15-17-30(7)23-18-26(3,24(32)33)13-12-25(23,2)14-16-29(22,30)6/h19,21-23H,8-18H2,1-7H3,(H,32,33)/t19-,21+,22-,23+,25+,26+,27+,28-,29+,30-/m0/s1

InChIKey

InChIKey=WHWHDGKOSUKYOV-GDXNDQEESA-N

SMILES

C[C@@]12[C@](C)([C@]3([C@@](C)(CC1)CC[C@](C(O)=O)(C)C3)[H])CC[C@]4(C)[C@@]2(CC[C@@]5(C)[C@]4(CCC(=O)[C@@H]5C)[H])[H]

Canonical SMILES

O=C(O)C1(C)CCC2(C)CCC3(C)C4CCC5(C)C(C(=O)CCC5C4(C)CCC3(C)C2C1)C

Other Names for this Substance

  • 24,25,26-Trinoroleanan-29-oic acid, 5,9,13-trimethyl-3-oxo-, (4β,5β,8α,9β,10α,13α,14β,20α)-
  • D:A-Friedooleanan-29-oic acid, 3-oxo-, (20α)-
  • D:A-Friedooleanan-29-oic acid, 3-oxo-
  • (4β,5β,8α,9β,10α,13α,14β,20α)-5,9,13-Trimethyl-3-oxo-24,25,26-trinoroleanan-29-oic acid
  • Maytenonic acid

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