β-Amyrin acetate

CAS Registry Number®

1616-93-9
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CAS Name

β-Amyrin acetate

Molecular Formula

C32H52O2

Molecular Mass

468.75

Cite this Page

β-Amyrin acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1616-93-9 (retrieved 2024-04-27) (CAS RN: 1616-93-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    240-241 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h10,23-26H,11-20H2,1-9H3/t23-,24-,25+,26-,29+,30-,31+,32+/m0/s1

InChIKey

InChIKey=UMRPOGLIBDXFNK-ZYGITSNFSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)[C@@H](OC(C)=O)CC3)[H])(CC=C4[C@@]2(C)CC[C@]5(C)[C@]4(CC(C)(C)CC5)[H])[H]

Canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CC=C4C5CC(C)(C)CCC5(C)CCC43C)C1(C)C)C

Other Names for this Substance

  • Olean-12-en-3-ol, 3-acetate, (3β)-
  • Olean-12-en-3β-ol, acetate
  • Olean-12-en-3-ol, acetate, (3β)-
  • β-Amyrin acetate
  • O-Acetyl-β-amyrin

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Deleted or Replaced CAS Registry Numbers

22076-42-2, 886204-12-2

CAS INSIGHTSTM
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