2-Butenoic acid, 2-methyl-, 1,1′-[(3S,3aR,4S,6S,6aS,9aS,9bS)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6-hydroxy-3,6,9-trimethyl-2-oxoazuleno[4,5-b]furan-3,4-diyl] ester

CAS Registry Number®

68852-48-2

CAS Name

2-Butenoic acid, 2-methyl-, 1,1′-[(3S,3aR,4S,6S,6aS,9aS,9bS)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6-hydroxy-3,6,9-trimethyl-2-oxoazuleno[4,5-b]furan-3,4-diyl] ester

Molecular Formula

C25H34O7

Molecular Mass

446.53

Cite this Page

2-Butenoic acid, 2-methyl-, 1,1′-[(3S,3aR,4S,6S,6aS,9aS,9bS)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6-hydroxy-3,6,9-trimethyl-2-oxoazuleno[4,5-b]furan-3,4-diyl] ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68852-48-2 (retrieved 2024-11-25) (CAS RN: 68852-48-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H34O7/c1-8-13(3)21(26)30-17-12-24(6,29)16-11-10-15(5)18(16)20-19(17)25(7,23(28)31-20)32-22(27)14(4)9-2/h8-10,16-20,29H,11-12H2,1-7H3/b13-8-,14-9-/t16-,17-,18+,19+,20-,24-,25-/m0/s1

InChIKey

InChIKey=BCRODGCGQKENCQ-SHQNSFORSA-N

SMILES

O(C(/C(=C\C)/C)=O)[C@@]1(C)[C@]2([C@]([C@]3([C@@]([C@@](C)(O)C[C@@H]2OC(/C(=C\C)/C)=O)(CC=C3C)[H])[H])(OC1=O)[H])[H]

Canonical SMILES

O=C(OC1CC(O)(C)C2CC=C(C)C2C3OC(=O)C(OC(=O)C(=CC)C)(C)C13)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, 1,1′-[(3S,3aR,4S,6S,6aS,9aS,9bS)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6-hydroxy-3,6,9-trimethyl-2-oxoazuleno[4,5-b]furan-3,4-diyl] ester
  • 2-Butenoic acid, 2-methyl-, 2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6-hydroxy-3,6,9-trimethyl-2-oxoazuleno[4,5-b]furan-3,4-diyl ester, [3S-[3α(Z),3aα,4α(Z),6β,6aβ,9aβ,9bα]]-
  • 2-Butenoic acid, 2-methyl-, (3S,3aR,4S,6S,6aS,9aS,9bS)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6-hydroxy-3,6,9-trimethyl-2-oxoazuleno[4,5-b]furan-3,4-diyl ester, (2Z,2′Z)-
  • Azuleno[4,5-b]furan, 2-butenoic acid deriv.
  • Gradolide

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