Oleanan-28-oic acid, 3-(acetyloxy)-11,12-epoxy-13-hydroxy-, γ-lactone, (3β,11α,12α)-

CAS Registry Number®

35738-25-1

CAS Name

Oleanan-28-oic acid, 3-(acetyloxy)-11,12-epoxy-13-hydroxy-, γ-lactone, (3β,11α,12α)-

Molecular Formula

C32H48O5

Molecular Mass

512.72

Cite this Page

Oleanan-28-oic acid, 3-(acetyloxy)-11,12-epoxy-13-hydroxy-, γ-lactone, (3β,11α,12α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35738-25-1 (retrieved 2024-11-12) (CAS RN: 35738-25-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >300 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H48O5/c1-18(33)35-21-10-11-28(6)19(27(21,4)5)9-12-29(7)23(28)22-24(36-22)32-20-17-26(2,3)13-15-31(20,25(34)37-32)16-14-30(29,32)8/h19-24H,9-17H2,1-8H3/t19-,20+,21-,22-,23+,24-,28-,29+,30-,31-,32+/m0/s1

InChIKey

InChIKey=RJEUVXAJCYTMIC-LRFNUQPTSA-N

SMILES

C[C@@]12[C@]3([C@@]4([C@@](O4)([C@]5([C@@]1(C)CC[C@@]6([C@]5(C)CC[C@H](OC(C)=O)C6(C)C)[H])[H])[H])[H])[C@]7([C@@](C(=O)O3)(CC2)CCC(C)(C)C7)[H]

Canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2C4OC4C56OC(=O)C7(CCC(C)(C)CC75)CCC63C)C1(C)C)C

Other Names for this Substance

  • Oleanan-28-oic acid, 3-(acetyloxy)-11,12-epoxy-13-hydroxy-, γ-lactone, (3β,11α,12α)-
  • 3β-O-Acetyl-11α,12α-epoxyolean-28,13-olide
  • 3β-Acetoxy-11α,12α-epoxyoleanan-13β,28-olide

Deleted or Replaced CAS Registry Numbers

2225957-44-6

CAS INSIGHTSTM
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