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Sclarene

CAS Registry Number®

511-02-4

CAS Name

Sclarene

Molecular Formula

C20H32

Molecular Mass

272.47

Cite this Page

Sclarene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=511-02-4 (retrieved 2024-12-27) (CAS RN: 511-02-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    149-151 °C @ Press: 1.6 Torr

  • Density (1)

    0.958 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H32/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,17-18H,1-3,8-14H2,4-6H3/t17-,18-,20+/m0/s1

InChIKey

InChIKey=KYLKKZSVPLUGCC-CMKODMSKSA-N

SMILES

C[C@@]12[C@](C(C)(C)CCC1)(CCC(=C)[C@@H]2CCC(C=C)=C)[H]

Canonical SMILES

C=CC(=C)CCC1C(=C)CCC2C(C)(C)CCCC12C

Other Names for this Substance

  • Naphthalene, decahydro-1,1,4a-trimethyl-6-methylene-5-(3-methylene-4-penten-1-yl)-, (4aS,5S,8aS)-
  • Labda-8(20),13(16),14-triene
  • Naphthalene, decahydro-1,1,4a-trimethyl-6-methylene-5-(3-methylene-4-pentenyl)-, [4aS-(4aα,5α,8aβ)]-
  • Naphthalene, decahydro-1,1,4a-trimethyl-6-methylene-5-(3-methylene-4-pentenyl)-, (4aS,5S,8aS)-
  • (4aS,5S,8aS)-Decahydro-1,1,4a-trimethyl-6-methylene-5-(3-methylene-4-penten-1-yl)naphthalene

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