(3S,3aR,4S,6S,6aS,8R,9bS)-6-(Acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-4-[(2S)-2-methyl-1-oxobutoxy]-2-oxoazuleno[4,5-b]furan-8-yl (2Z)-2-methyl-2-butenoate

CAS Registry Number®

50657-07-3
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CAS Name

(3S,3aR,4S,6S,6aS,8R,9bS)-6-(Acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-4-[(2S)-2-methyl-1-oxobutoxy]-2-oxoazuleno[4,5-b]furan-8-yl (2Z)-2-methyl-2-butenoate

Molecular Formula

C27H38O10

Molecular Mass

522.58

Cite this Page

(3S,3aR,4S,6S,6aS,8R,9bS)-6-(Acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-4-[(2S)-2-methyl-1-oxobutoxy]-2-oxoazuleno[4,5-b]furan-8-yl (2Z)-2-methyl-2-butenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50657-07-3 (retrieved 2024-09-19) (CAS RN: 50657-07-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    191-192 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H38O10/c1-9-13(3)22(29)34-18-11-17-20(15(18)5)21-27(33,26(8,32)24(31)36-21)19(35-23(30)14(4)10-2)12-25(17,7)37-16(6)28/h9,14,17-19,21,32-33H,10-12H2,1-8H3/b13-9-/t14-,17-,18+,19-,21-,25-,26+,27+/m0/s1

InChIKey

InChIKey=FIAZIVNRHQWTPY-QAAPNFDWSA-N

SMILES

O[C@@]12[C@](C=3[C@@]([C@](OC(C)=O)(C)C[C@@H]1OC([C@H](CC)C)=O)(C[C@@H](OC(/C(=C\C)/C)=O)C3C)[H])(OC(=O)[C@@]2(C)O)[H]

Canonical SMILES

O=C(OC1C(=C2C3OC(=O)C(O)(C)C3(O)C(OC(=O)C(C)CC)CC(OC(=O)C)(C)C2C1)C)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-4-[(2S)-2-methyl-1-oxobutoxy]-2-oxoazuleno[4,5-b]furan-8-yl ester, (2Z)-
  • 2-Butenoic acid, 2-methyl-, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-4-(2-methyl-1-oxobutoxy)-2-oxoazuleno[4,5-b]furan-8-yl ester, [3S-[3α,3aβ,4α(R*),6β,6aβ,8α(Z),9bα]]-
  • Azuleno[4,5-b]furan, 2-butenoic acid deriv.
  • (3S,3aR,4S,6S,6aS,8R,9bS)-6-(Acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-4-[(2S)-2-methyl-1-oxobutoxy]-2-oxoazuleno[4,5-b]furan-8-yl (2Z)-2-methyl-2-butenoate
  • Trilobolide

View All

Deleted or Replaced CAS Registry Numbers

11053-20-6, 90760-57-9