Lupeol acetate

CAS Registry Number®

1617-68-1
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CAS Name

Lupeol acetate

Molecular Formula

C32H52O2

Molecular Mass

468.75

Cite this Page

Lupeol acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=1617-68-1 (retrieved 2024-04-25) (CAS RN: 1617-68-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    212-213 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,29+,30-,31+,32+/m0/s1

InChIKey

InChIKey=ODSSDTBFHAYYMD-YOJQYFTNSA-N

SMILES

C[C@]12[C@@]([C@@]3([C@@](C)(CC1)CC[C@H]3C(C)=C)[H])(CC[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)CC[C@H](OC(C)=O)C5(C)C)[H])[H])[H]

Canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C)CCC43C)C1(C)C)C

Other Names for this Substance

  • Lup-20(29)-en-3-ol, acetate, (3β)-
  • Lup-20(29)-en-3β-ol, acetate
  • Lup-20(30)-en-3β-ol, acetate
  • 1H-Cyclopenta[a]chrysene, lup-20(29)-en-3-ol deriv.
  • Lupenyl acetate

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Deleted or Replaced CAS Registry Numbers

22076-45-5, 1627956-21-1

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