Bauerenyl acetate

CAS Registry Number®

17020-04-1
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CAS Name

Bauerenyl acetate

Molecular Formula

C32H52O2

Molecular Mass

468.75

Cite this Page

Bauerenyl acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17020-04-1 (retrieved 2024-05-19) (CAS RN: 17020-04-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    282-283 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=DTHUXXMWYWKQKX-QXZXTIJDSA-N

SMILES

C[C@@]12[C@](C)([C@]3([C@@](C)(CC1)CC[C@@H](C)[C@@H]3C)[H])CC[C@]4(C2=CC[C@@]5([C@]4(C)CC[C@H](OC(C)=O)C5(C)C)[H])[H]

Canonical SMILES

O=C(OC1CCC2(C)C3C(=CCC2C1(C)C)C4(C)CCC5(C)CCC(C)C(C)C5C4(C)CC3)C

Other Names for this Substance

  • 26-Norurs-7-en-3-ol, 13-methyl-, 3-acetate, (3β,13α,14β)-
  • D:C-Friedours-7-en-3β-ol, acetate
  • Bauerenol acetate
  • D:C-Friedours-7-en-3-ol, acetate, (3β)-
  • 26-Norurs-7-en-3-ol, 13-methyl-, acetate, (3β,13α,14β)-

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Deleted or Replaced CAS Registry Numbers

103917-33-5, 84601-06-9

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