2-Butenoic acid, 3-methyl-, (3aS,4S,4aR,7aS,8S,9R,9aS)-2,3,3a,4,4a,5,7a,8,9,9a-decahydro-9-hydroxy-4a,8-dimethyl-3-methylene-2,5-dioxoazuleno[6,5-b]furan-4-yl ester

CAS Registry Number®

6995-12-6

CAS Name

2-Butenoic acid, 3-methyl-, (3aS,4S,4aR,7aS,8S,9R,9aS)-2,3,3a,4,4a,5,7a,8,9,9a-decahydro-9-hydroxy-4a,8-dimethyl-3-methylene-2,5-dioxoazuleno[6,5-b]furan-4-yl ester

Molecular Formula

C20H24O6

Molecular Mass

360.40

Cite this Page

2-Butenoic acid, 3-methyl-, (3aS,4S,4aR,7aS,8S,9R,9aS)-2,3,3a,4,4a,5,7a,8,9,9a-decahydro-9-hydroxy-4a,8-dimethyl-3-methylene-2,5-dioxoazuleno[6,5-b]furan-4-yl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6995-12-6 (retrieved 2025-02-21) (CAS RN: 6995-12-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    197-199 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H24O6/c1-9(2)8-14(22)25-18-15-11(4)19(24)26-17(15)16(23)10(3)12-6-7-13(21)20(12,18)5/h6-8,10,12,15-18,23H,4H2,1-3,5H3/t10-,12-,15+,16+,17-,18-,20-/m0/s1

InChIKey

InChIKey=QQEQKSVDPDNRRR-GQDZUWFTSA-N

SMILES

O(C(C=C(C)C)=O)[C@H]1[C@]2([C@@]([C@H](O)[C@@H](C)[C@]3([C@@]1(C)C(=O)C=C3)[H])(OC(=O)C2=C)[H])[H]

Canonical SMILES

O=C(OC1C2C(=C)C(=O)OC2C(O)C(C)C3C=CC(=O)C13C)C=C(C)C

Other Names for this Substance

  • 2-Butenoic acid, 3-methyl-, (3aS,4S,4aR,7aS,8S,9R,9aS)-2,3,3a,4,4a,5,7a,8,9,9a-decahydro-9-hydroxy-4a,8-dimethyl-3-methylene-2,5-dioxoazuleno[6,5-b]furan-4-yl ester
  • 2-Butenoic acid, 3-methyl-, 2,3,3a,4,4a,5,7a,8,9,9a-decahydro-9-hydroxy-4a,8-dimethyl-3-methylene-2,5-dioxoazuleno[6,5-b]furan-4-yl ester, [3aS-(3aα,4α,4aβ,7aα,8α,9β,9aα)]-
  • Ambrosa-2,11(13)-dien-12-oic acid, 6α,8β,9β-trihydroxy-4-oxo-, 12,8-lactone, 6-(3-methylcrotonate)
  • Crotonic acid, 3-methyl-, 4-ester with 3,3a,4,4a,7aα,8,9,9a-octahydro-4α,9-dihydroxy-4aβ,8α-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione
  • Fastigilin C

View All

Deleted or Replaced CAS Registry Numbers

31190-16-6, 33124-81-1

CAS INSIGHTSTM
Lithium-ion battery