(-)-Rotundone

CAS Registry Number®

18374-76-0
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CAS Name

(-)-Rotundone

Molecular Formula

C15H22O

Molecular Mass

218.33

Cite this Page

(-)-Rotundone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=18374-76-0 (retrieved 2024-04-19) (CAS RN: 18374-76-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    128-129 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h10-12H,1,5-8H2,2-4H3/t10-,11-,12+/m0/s1

InChIKey

InChIKey=NUWMTBMCSQWPDG-SDDRHHMPSA-N

SMILES

O=C1C2=C(C[C@H](C(C)=C)CC[C@@H]2C)[C@@H](C)C1

Canonical SMILES

O=C1C2=C(CC(C(=C)C)CCC2C)C(C)C1

Other Names for this Substance

  • 1(2H)-Azulenone, 3,4,5,6,7,8-hexahydro-3,8-dimethyl-5-(1-methylethenyl)-, (3S,5R,8S)-
  • Guaia-1(5),11-dien-2-one, (-)-
  • 1(2H)-Azulenone, 3,4,5,6,7,8-hexahydro-3,8-dimethyl-5-(1-methylethenyl)-, [3S-(3α,5α,8α)]-
  • (3S,5R,8S)-3,4,5,6,7,8-Hexahydro-3,8-dimethyl-5-(1-methylethenyl)-1(2H)-azulenone
  • (-)-Rotundone

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