Ligulatin B

CAS Registry Number®

31299-06-6

CAS Name

Ligulatin B

Molecular Formula

C17H22O5

Molecular Mass

306.35

Cite this Page

Ligulatin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31299-06-6 (retrieved 2025-02-23) (CAS RN: 31299-06-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H22O5/c1-9-4-5-12-10(2)16(20)22-15(12)17(8-21-11(3)18)13(9)6-7-14(17)19/h9,12-13,15H,2,4-8H2,1,3H3/t9-,12-,13-,15+,17-/m0/s1

InChIKey

InChIKey=BDTUWJXMQGOJIJ-AUPGVYSRSA-N

SMILES

C(OC(C)=O)[C@]12[C@]3([C@](C(=C)C(=O)O3)(CC[C@H](C)[C@@]1(CCC2=O)[H])[H])[H]

Canonical SMILES

O=C1OC2C(C1=C)CCC(C)C3CCC(=O)C23COC(=O)C

Other Names for this Substance

  • Azuleno[4,5-b]furan-2,9-dione, 9a-[(acetyloxy)methyl]decahydro-6-methyl-3-methylene-, (3aS,6S,6aS,9aS,9bR)-
  • Azuleno[4,5-b]furan-2,9-dione, 9a-[(acetyloxy)methyl]decahydro-6-methyl-3-methylene-, [3aS-(3aα,6β,6aα,9aβ,9bα)]-
  • 10αH-Ambros-11(13)-en-12-oic acid, 6β,15-dihydroxy-4-oxo-, γ-lactone, acetate
  • (3aS,6S,6aS,9aS,9bR)-9a-[(Acetyloxy)methyl]decahydro-6-methyl-3-methyleneazuleno[4,5-b]furan-2,9-dione
  • Incanin

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CAS INSIGHTSTM
Samples on a microarray, illustration