(5S,8R,8aR)-1,2,5,6,7,8-Hexahydro-3,8,9,9-tetramethyl-4H-5,8a-methanoazulen-4-one

CAS Registry Number®

5986-54-9

CAS Name

(5S,8R,8aR)-1,2,5,6,7,8-Hexahydro-3,8,9,9-tetramethyl-4H-5,8a-methanoazulen-4-one

Molecular Formula

C15H22O

Molecular Mass

218.33

Cite this Page

(5S,8R,8aR)-1,2,5,6,7,8-Hexahydro-3,8,9,9-tetramethyl-4H-5,8a-methanoazulen-4-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5986-54-9 (retrieved 2024-11-04) (CAS RN: 5986-54-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    52.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H22O/c1-9-7-8-15-10(2)5-6-11(14(15,3)4)13(16)12(9)15/h10-11H,5-8H2,1-4H3/t10-,11-,15+/m1/s1

InChIKey

InChIKey=JAWSHISYWRRQQQ-HFAKWTLXSA-N

SMILES

C[C@@]1(C)[C@]23C(C(=O)[C@]1(CC[C@H]2C)[H])=C(C)CC3

Canonical SMILES

O=C1C2=C(C)CCC23C(C)CCC1C3(C)C

Other Names for this Substance

  • 4H-5,8a-Methanoazulen-4-one, 1,2,5,6,7,8-hexahydro-3,8,9,9-tetramethyl-, (5S,8R,8aR)-
  • 8H-3a,7-Methanoazulen-8-one, 2,3,4,5,6,7α-hexahydro-1,4α,9,9-tetramethyl-, (-)-
  • Patchoulenone
  • 8H-3a,7-Methanoazulen-8-one, 2,3,4,5,6,7-hexahydro-1,4,9,9-tetramethyl-, [3aR-(3aα,4β,7α)]-
  • 8H-3a,7-Methanoazulen-8-one, 2,3,4,5,6,7-hexahydro-1,4,9,9-tetramethyl-, (3aR,4R,7S)-

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