Helenalin

CAS Registry Number®

6754-13-8

CAS Name

Helenalin

Molecular Formula

C15H18O4

Molecular Mass

262.30

Cite this Page

Helenalin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6754-13-8 (retrieved 2024-11-22) (CAS RN: 6754-13-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    167-168 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10-,12-,13+,15+/m1/s1

InChIKey

InChIKey=ZVLOPMNVFLSSAA-XEPQRQSNSA-N

SMILES

C[C@@]12[C@]([C@H](C)C[C@@]3([C@]([C@@H]1O)(C(=C)C(=O)O3)[H])[H])(C=CC2=O)[H]

Canonical SMILES

O=C1OC2CC(C)C3C=CC(=O)C3(C)C(O)C2C1=C

Other Names for this Substance

  • Azuleno[6,5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, (3aS,4S,4aR,7aR,8R,9aR)-
  • Helenalin
  • Ambrosa-2,11(13)-dien-12-oic acid, 6α,8β-dihydroxy-4-oxo-, 12,8-lactone
  • Azuleno[6,5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, [3aS-(3aα,4α,4aβ,7aα,8α,9aα)]-
  • (3aS,4S,4aR,7aR,8R,9aR)-3,3a,4,4a,7a,8,9,9a-Octahydro-4-hydroxy-4a,8-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione

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Deleted or Replaced CAS Registry Numbers

1195187-64-4