Caryophyllene acetate

CAS Registry Number®

57082-24-3
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CAS Name

Caryophyllene acetate

Molecular Formula

C17H28O2

Molecular Mass

264.40

Cite this Page

Caryophyllene acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=57082-24-3 (retrieved 2024-03-28) (CAS RN: 57082-24-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H28O2/c1-12(18)19-17-8-5-7-16(4,11-17)9-6-13-14(17)10-15(13,2)3/h13-14H,5-11H2,1-4H3/t13-,14+,16+,17-/m1/s1

InChIKey

InChIKey=SJDDHMSVZMBJPH-YQFWSFKMSA-N

SMILES

O(C(C)=O)[C@@]12[C@@]3([C@](C(C)(C)C3)(CC[C@@](C)(C1)CCC2)[H])[H]

Canonical SMILES

O=C(OC12CCCC(C)(CCC3C1CC3(C)C)C2)C

Other Names for this Substance

  • Tricyclo[6.3.1.02,5]dodecan-1-ol, 4,4,8-trimethyl-, 1-acetate, (1R,2S,5R,8S)-
  • Tricyclo[6.3.1.02,5]dodecan-1-ol, 4,4,8-trimethyl-, acetate, [1R-(1α,2α,5β,8β)]-
  • Tricyclo[6.3.1.02,5]dodecan-1-ol, 4,4,8-trimethyl-, acetate, (1R,2S,5R,8S)-
  • Caryophyllene acetate

Deleted or Replaced CAS Registry Numbers

62532-51-8

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