β-Patchoulene

CAS Registry Number®

514-51-2

CAS Name

β-Patchoulene

Molecular Formula

C15H24

Molecular Mass

204.35

Cite this Page

β-Patchoulene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=514-51-2 (retrieved 2024-11-22) (CAS RN: 514-51-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    66.5-67.5 °C @ Press: 0.4 Torr

  • Melting Point (2)

    50-100 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3/t10-,11+,15-/m0/s1

InChIKey

InChIKey=CSKINCSXMLCMAR-RWSFTLGLSA-N

SMILES

C[C@]12C3=C(C[C@](C1(C)C)(CC2)[H])[C@@H](C)CC3

Canonical SMILES

C12=C(CCC1C)C3(C)CCC(C2)C3(C)C

Other Names for this Substance

  • 4,7-Methanoazulene, 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-, (1S,4R,7R)-
  • 4,7-Methanoazulene, 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-, [1S-(1α,4α,7α)]-
  • (1S,4R,7R)-1,2,3,4,5,6,7,8-Octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene
  • β-Patchoulene
  • 1,2,3,4,5,6,7,8-Octahydro-1,4,9,9-tetramethyl-[1S-(1α,4α,7α)]-4,7-methanoazulene

CAS INSIGHTSTM
Targeted protein degrader structure, illustration