(3S,3aS,4S,4aR,7aS,8S,9R,9aS)-2,3,3a,4,4a,5,7a,8,9,9a-Decahydro-9-hydroxy-3,4a,8-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4-yl 3-methyl-2-butenoate

CAS Registry Number®

6995-11-5

CAS Name

(3S,3aS,4S,4aR,7aS,8S,9R,9aS)-2,3,3a,4,4a,5,7a,8,9,9a-Decahydro-9-hydroxy-3,4a,8-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4-yl 3-methyl-2-butenoate

Molecular Formula

C20H26O6

Molecular Mass

362.42

Cite this Page

(3S,3aS,4S,4aR,7aS,8S,9R,9aS)-2,3,3a,4,4a,5,7a,8,9,9a-Decahydro-9-hydroxy-3,4a,8-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4-yl 3-methyl-2-butenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6995-11-5 (retrieved 2024-11-23) (CAS RN: 6995-11-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    259-261 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H26O6/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,1-5H3/t10-,11-,12-,15+,16+,17-,18-,20-/m0/s1

InChIKey

InChIKey=DLISCHVYLYGCNV-HJDABSCOSA-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)[C@H]2C)[H])[H]

Canonical SMILES

O=C(OC1C2C(OC(=O)C2C)C(O)C(C)C3C=CC(=O)C13C)C=C(C)C

Other Names for this Substance

  • 2-Butenoic acid, 3-methyl-, (3S,3aS,4S,4aR,7aS,8S,9R,9aS)-2,3,3a,4,4a,5,7a,8,9,9a-decahydro-9-hydroxy-3,4a,8-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4-yl ester
  • Fastigilin B
  • 2-Butenoic acid, 3-methyl-, 2,3,3a,4,4a,5,7a,8,9,9a-decahydro-9-hydroxy-3,4a,8-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4-yl ester, [3S-(3α,3aβ,4β,4aα,7aβ,8β,9α,9aβ)]-
  • Azuleno[6,5-b]furan, 2-butenoic acid deriv.
  • (3S,3aS,4S,4aR,7aS,8S,9R,9aS)-2,3,3a,4,4a,5,7a,8,9,9a-Decahydro-9-hydroxy-3,4a,8-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4-yl 3-methyl-2-butenoate

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