(3aR,4S,6aR,9S,9aR,9bR)-Octahydro-4-hydroxy-9-methyl-3,6-bis(methylene)azuleno[4,5-b]furan-2,8(3H,4H)-dione

CAS Registry Number®

22489-66-3
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CAS Name

(3aR,4S,6aR,9S,9aR,9bR)-Octahydro-4-hydroxy-9-methyl-3,6-bis(methylene)azuleno[4,5-b]furan-2,8(3H,4H)-dione

Molecular Formula

C15H18O4

Molecular Mass

262.30

Cite this Page

(3aR,4S,6aR,9S,9aR,9bR)-Octahydro-4-hydroxy-9-methyl-3,6-bis(methylene)azuleno[4,5-b]furan-2,8(3H,4H)-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22489-66-3 (retrieved 2024-04-28) (CAS RN: 22489-66-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    200-202 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1

InChIKey

InChIKey=YGMIBVIKXJJQQJ-MSOSQAFRSA-N

SMILES

C[C@H]1[C@@]2([C@@]3([C@@]([C@@H](O)CC(=C)[C@@]2(CC1=O)[H])(C(=C)C(=O)O3)[H])[H])[H]

Canonical SMILES

O=C1OC2C(C1=C)C(O)CC(=C)C3CC(=O)C(C)C23

Other Names for this Substance

  • Azuleno[4,5-b]furan-2,8(3H,4H)-dione, octahydro-4-hydroxy-9-methyl-3,6-bis(methylene)-, (3aR,4S,6aR,9S,9aR,9bR)-
  • Grosshemin
  • Azuleno[4,5-b]furan-2,8(3H,4H)-dione, octahydro-4-hydroxy-9-methyl-3,6-bis(methylene)-, [3aR-(3aα,4α,6aα,9α,9aα,9bβ)]-
  • 4βH-Guaia-10(14),11(13)-dien-12-oic acid, 6α,8α-dihydroxy-3-oxo-, 12,6-lactone
  • (3aR,4S,6aR,9S,9aR,9bR)-Octahydro-4-hydroxy-9-methyl-3,6-bis(methylene)azuleno[4,5-b]furan-2,8(3H,4H)-dione

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Deleted or Replaced CAS Registry Numbers

1618-90-2, 23515-95-9, 1195532-71-8

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