Aframodial

CAS Registry Number®

71641-23-1
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CAS Name

Aframodial

Molecular Formula

C20H30O3

Molecular Mass

318.45

Cite this Page

Aframodial.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71641-23-1 (retrieved 2024-09-19) (CAS RN: 71641-23-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    89-90 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H30O3/c1-18(2)9-4-10-19(3)16(18)7-11-20(14-23-20)17(19)6-5-15(13-22)8-12-21/h5,12-13,16-17H,4,6-11,14H2,1-3H3/b15-5+/t16-,17+,19-,20+/m0/s1

InChIKey

InChIKey=ZAWCPGMKVKTLKI-NOFOYWHNSA-N

SMILES

C(/C=C(\CC=O)/C=O)[C@H]1[C@]2(CO2)CC[C@@]3([C@]1(C)CCCC3(C)C)[H]

Canonical SMILES

O=CC(=CCC1C2(OC2)CCC3C(C)(C)CCCC13C)CC=O

Other Names for this Substance

  • Butanedial, 2-[2-[(1R,2S,4aS,8aS)-octahydro-5,5,8a-trimethylspiro[naphthalene-2(1H),2′-oxiran]-1-yl]ethylidene]-, (2E)-
  • Butanedial, [2-(octahydro-5,5,8a-trimethylspiro[naphthalene-2(1H),2′-oxiran]-1-yl)ethylidene]-, [1R-[1α(E),2α,4aβ,8aα]]-
  • Butanedial, [2-[(1R,2S,4aS,8aS)-octahydro-5,5,8a-trimethylspiro[naphthalene-2(1H),2′-oxiran]-1-yl]ethylidene]-, (2E)-
  • Spiro[naphthalene-2(1H),2′-oxirane], butanedial deriv.
  • (2E)-2-[2-[(1R,2S,4aS,8aS)-Octahydro-5,5,8a-trimethylspiro[naphthalene-2(1H),2′-oxiran]-1-yl]ethylidene]butanedial

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Deleted or Replaced CAS Registry Numbers

144121-16-4