(3S,3aR,4S,6S,9bS)-4-(Acetyloxy)-3a,4,5,6,8,9b-hexahydro-6-hydroxy-3,6,9-trimethylazuleno[4,5-b]furan-2(3H)-one

CAS Registry Number®

71616-00-7

CAS Name

(3S,3aR,4S,6S,9bS)-4-(Acetyloxy)-3a,4,5,6,8,9b-hexahydro-6-hydroxy-3,6,9-trimethylazuleno[4,5-b]furan-2(3H)-one

Molecular Formula

C17H22O5

Molecular Mass

306.35

Cite this Page

(3S,3aR,4S,6S,9bS)-4-(Acetyloxy)-3a,4,5,6,8,9b-hexahydro-6-hydroxy-3,6,9-trimethylazuleno[4,5-b]furan-2(3H)-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71616-00-7 (retrieved 2025-02-21) (CAS RN: 71616-00-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H22O5/c1-8-5-6-11-13(8)15-14(9(2)16(19)22-15)12(21-10(3)18)7-17(11,4)20/h6,9,12,14-15,20H,5,7H2,1-4H3/t9-,12-,14+,15+,17-/m0/s1

InChIKey

InChIKey=ZPTLTKQKVWFFNY-MMXDGPTGSA-N

SMILES

O(C(C)=O)[C@@H]1[C@@]2([C@@](C=3C([C@@](C)(O)C1)=CCC3C)(OC(=O)[C@H]2C)[H])[H]

Canonical SMILES

O=C(OC1CC(O)(C2=CCC(=C2C3OC(=O)C(C)C31)C)C)C

Other Names for this Substance

  • Azuleno[4,5-b]furan-2(3H)-one, 4-(acetyloxy)-3a,4,5,6,8,9b-hexahydro-6-hydroxy-3,6,9-trimethyl-, (3S,3aR,4S,6S,9bS)-
  • Azuleno[4,5-b]furan-2(3H)-one, 4-(acetyloxy)-3a,4,5,6,8,9b-hexahydro-6-hydroxy-3,6,9-trimethyl-, [3S-(3α,3aα,4α,6β,9bβ)]-
  • (3S,3aR,4S,6S,9bS)-4-(Acetyloxy)-3a,4,5,6,8,9b-hexahydro-6-hydroxy-3,6,9-trimethylazuleno[4,5-b]furan-2(3H)-one
  • Achillicin

Deleted or Replaced CAS Registry Numbers

75821-99-7, 145307-05-7

CAS INSIGHTSTM
Samples on a microarray, illustration