Marrubenol

CAS Registry Number®

560-58-7

CAS Name

Marrubenol

Molecular Formula

C20H32O4

Molecular Mass

336.47

Cite this Page

Marrubenol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=560-58-7 (retrieved 2025-08-15) (CAS RN: 560-58-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H32O4/c1-14-11-16(22)17-18(2,13-21)7-4-8-19(17,3)20(14,23)9-5-15-6-10-24-12-15/h6,10,12,14,16-17,21-23H,4-5,7-9,11,13H2,1-3H3/t14-,16-,17+,18-,19+,20-/m1/s1

InChIKey

InChIKey=NZMHIKFTAXRIDL-FQFOHHTNSA-N

SMILES

C[C@@]12[C@]([C@](CO)(C)CCC1)([C@H](O)C[C@@H](C)[C@@]2(CCC=3C=COC3)O)[H]

Canonical SMILES

OCC1(C)CCCC2(C)C1C(O)CC(C)C2(O)CCC3=COC=C3

Other Names for this Substance

  • 1,4-Naphthalenediol, 1-[2-(3-furanyl)ethyl]decahydro-5-(hydroxymethyl)-2,5,8a-trimethyl-, (1R,2R,4R,4aS,5S,8aS)-
  • Labda-13(16),14-diene-6β,9,19-triol, 15,16-epoxy-
  • 1,4-Naphthalenediol, 1-[2-(3-furanyl)ethyl]decahydro-5-(hydroxymethyl)-2,5,8a-trimethyl-, [1R-(1α,2α,4β,4aα,5β,8aβ)]-
  • (1R,2R,4R,4aS,5S,8aS)-1-[2-(3-Furanyl)ethyl]decahydro-5-(hydroxymethyl)-2,5,8a-trimethyl-1,4-naphthalenediol
  • Marrubenol

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CAS INSIGHTSTM
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