3β-Acetoxy-12α-hydroxyoleanan-13β,28-olide

CAS Registry Number®

62498-83-3
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CAS Name

3β-Acetoxy-12α-hydroxyoleanan-13β,28-olide

Molecular Formula

C32H50O5

Molecular Mass

514.74

Cite this Page

3β-Acetoxy-12α-hydroxyoleanan-13β,28-olide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=62498-83-3 (retrieved 2024-05-02) (CAS RN: 62498-83-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    285-287 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H50O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-24,34H,9-18H2,1-8H3/t20-,21+,22+,23-,24-,28-,29+,30-,31-,32+/m0/s1

InChIKey

InChIKey=SFSFDBPTPLSWRM-KXNUYETHSA-N

SMILES

C[C@]12[C@@]3([C@]4([C@@](C(=O)O3)(CC1)CCC(C)(C)C4)[H])[C@@H](O)C[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)C2CC(O)C45OC(=O)C6(CCC(C)(C)CC64)CCC53C)C1(C)C)C

Other Names for this Substance

  • Oleanan-28-oic acid, 3-(acetyloxy)-12,13-dihydroxy-, γ-lactone, (3β,12α)-
  • Oleanan-28-oic acid, 3β,12α,13β-trihydroxy-, γ-lactone, 3-acetate
  • 3β-Acetoxy-12α-hydroxyoleanan-13β,28-olide

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