Ursololactone

CAS Registry Number®

28290-51-9
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CAS Name

Ursololactone

Molecular Formula

C32H50O4

Molecular Mass

498.74

Cite this Page

Ursololactone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=28290-51-9 (retrieved 2024-09-19) (CAS RN: 28290-51-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H50O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h19-20,22-25H,9-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1

InChIKey

InChIKey=NJLCBLDWBHWOFU-NOAGMNDJSA-N

SMILES

C[C@]12[C@@]3([C@]4([C@@](C(=O)O3)(CC1)CC[C@@H](C)[C@@H]4C)[H])CC[C@]5([C@@]2(C)CC[C@@]6([C@]5(C)CC[C@H](OC(C)=O)C6(C)C)[H])[H]

Canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC45OC(=O)C6(CCC(C)C(C)C64)CCC53C)C1(C)C)C

Other Names for this Substance

  • Ursan-28-oic acid, 3-(acetyloxy)-13-hydroxy-, γ-lactone, (3β)-
  • Ursan-28-oic acid, 3β,13-dihydroxy-, γ-lactone, acetate
  • Ursololactone
  • 3β-Acetoxyurs-11-en-13β,28-olide