(4aR,5S,6R,8aS)-5-[2-(3-Furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-8a-(hydroxymethyl)-5,6-dimethyl-1-naphthalenecarboxylic acid

CAS Registry Number®

18411-75-1
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CAS Name

(4aR,5S,6R,8aS)-5-[2-(3-Furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-8a-(hydroxymethyl)-5,6-dimethyl-1-naphthalenecarboxylic acid

Molecular Formula

C20H28O4

Molecular Mass

332.43

Cite this Page

(4aR,5S,6R,8aS)-5-[2-(3-Furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-8a-(hydroxymethyl)-5,6-dimethyl-1-naphthalenecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18411-75-1 (retrieved 2024-05-19) (CAS RN: 18411-75-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    183-184 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H28O4/c1-14-6-10-20(13-21)16(18(22)23)4-3-5-17(20)19(14,2)9-7-15-8-11-24-12-15/h4,8,11-12,14,17,21H,3,5-7,9-10,13H2,1-2H3,(H,22,23)/t14-,17-,19+,20-/m1/s1

InChIKey

InChIKey=PHKSUFCCGLWIMC-SIKIZQCASA-N

SMILES

C(O)[C@]12[C@@]([C@](CCC=3C=COC3)(C)[C@H](C)CC1)(CCC=C2C(O)=O)[H]

Canonical SMILES

O=C(O)C1=CCCC2C1(CO)CCC(C)C2(C)CCC3=COC=C3

Other Names for this Substance

  • 1-Naphthalenecarboxylic acid, 5-[2-(3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-8a-(hydroxymethyl)-5,6-dimethyl-, (4aR,5S,6R,8aS)-
  • 17,19-Dinor-8βH-labda-3,13(16),14-trien-18-oic acid, 15,16-epoxy-5-(hydroxymethyl)-9-methyl-, (-)-
  • 1-Naphthalenecarboxylic acid, 5-[2-(3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-8a-(hydroxymethyl)-5,6-dimethyl-, [4aR-(4aα,5α,6β,8aβ)]-
  • (4aR,5S,6R,8aS)-5-[2-(3-Furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-8a-(hydroxymethyl)-5,6-dimethyl-1-naphthalenecarboxylic acid
  • Hautriwaic acid

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