2-Butenoic acid, 2-methyl-, (2′R,3′R,3′aS,4′S,7′S,7′aR)-decahydro-3′-hydroxy-7′,7′a-dimethyl-4-methylene-2-oxospiro[furan-3(2H),2′-[2H]inden]-4′-yl ester, (2Z)-

CAS Registry Number®

18456-00-3
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CAS Name

2-Butenoic acid, 2-methyl-, (2′R,3′R,3′aS,4′S,7′S,7′aR)-decahydro-3′-hydroxy-7′,7′a-dimethyl-4-methylene-2-oxospiro[furan-3(2H),2′-[2H]inden]-4′-yl ester, (2Z)-

Molecular Formula

C20H28O5

Molecular Mass

348.43

Cite this Page

2-Butenoic acid, 2-methyl-, (2′R,3′R,3′aS,4′S,7′S,7′aR)-decahydro-3′-hydroxy-7′,7′a-dimethyl-4-methylene-2-oxospiro[furan-3(2H),2′-[2H]inden]-4′-yl ester, (2Z)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18456-00-3 (retrieved 2024-09-19) (CAS RN: 18456-00-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    167-167.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H28O5/c1-6-11(2)17(22)25-14-8-7-12(3)19(5)10-20(16(21)15(14)19)13(4)9-24-18(20)23/h6,12,14-16,21H,4,7-10H2,1-3,5H3/b11-6-/t12-,14-,15+,16+,19+,20+/m0/s1

InChIKey

InChIKey=KVPXGWXTEOVUGO-HKTLJSNGSA-N

SMILES

O[C@H]1[C@@]2(C[C@@]3(C)[C@@]1([C@@H](OC(/C(=C\C)/C)=O)CC[C@@H]3C)[H])C(=C)COC2=O

Canonical SMILES

O=C(OC1CCC(C)C2(C)CC3(C(=O)OCC3=C)C(O)C12)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (2′R,3′R,3′aS,4′S,7′S,7′aR)-decahydro-3′-hydroxy-7′,7′a-dimethyl-4-methylene-2-oxospiro[furan-3(2H),2′-[2H]inden]-4′-yl ester, (2Z)-
  • Crotonic acid, 2-methyl-, 7′-ester with 3′a,4,4′,5,5′,6′,7′,7′aβ-octahydro-1′β,7′α-dihydroxy-3′aβ,4′β-dimethyl-4-methylenespiro[furan-3(2H),2′-indan]-2-one, (Z)-
  • 2-Butenoic acid, 2-methyl-, decahydro-3′-hydroxy-7′,7′a-dimethyl-4-methylene-2-oxospiro[furan-3(2H),2′-[2H]inden]-4′-yl ester, [2′R-[2′α,3′α,3′aα,4′β(Z),7′α,7′aα]]-
  • Spiro[furan-3(2H),2′-[2H]indene], 2-butenoic acid deriv.
  • Bakkenolide C

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Deleted or Replaced CAS Registry Numbers

19903-90-3