α-Amyrin acetate

CAS Registry Number®

863-76-3
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CAS Name

α-Amyrin acetate

Molecular Formula

C32H52O2

Molecular Mass

468.75

Cite this Page

α-Amyrin acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=863-76-3 (retrieved 2024-05-03) (CAS RN: 863-76-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    225-226 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h10,20-21,24-27H,11-19H2,1-9H3/t20-,21+,24+,25-,26+,27+,29-,30+,31-,32-/m1/s1

InChIKey

InChIKey=UDXDFWBZZQHDRO-NSTYLNEOSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)CC[C@@H](C)[C@@H]4C)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](OC(C)=O)CC5)[H])[H]

Canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CC=C4C5C(C)C(C)CCC5(C)CCC43C)C1(C)C)C

Other Names for this Substance

  • Urs-12-en-3-ol, 3-acetate, (3β)-
  • Urs-12-en-3β-ol, acetate
  • Urs-12-en-3-ol, acetate, (3β)-
  • α-Amyrin acetate
  • α-Amyrenyl acetate

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Deleted or Replaced CAS Registry Numbers

99630-72-5, 22076-41-1

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