(1R,3aS,3bS,9aR,9bS,10S,11aS)-2,3,3a,3b,4,5,6a,9a,9b,10,11,11a-Dodecahydro-1,10-dihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H-indeno[5,4-e]azulene-6,7-dione

CAS Registry Number®

18118-80-4
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CAS Name

(1R,3aS,3bS,9aR,9bS,10S,11aS)-2,3,3a,3b,4,5,6a,9a,9b,10,11,11a-Dodecahydro-1,10-dihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H-indeno[5,4-e]azulene-6,7-dione

Molecular Formula

C21H28O6

Molecular Mass

376.44

Cite this Page

(1R,3aS,3bS,9aR,9bS,10S,11aS)-2,3,3a,3b,4,5,6a,9a,9b,10,11,11a-Dodecahydro-1,10-dihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H-indeno[5,4-e]azulene-6,7-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=18118-80-4 (retrieved 2024-04-20) (CAS RN: 18118-80-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H28O6/c1-19-7-6-14(24)18(19)13(23)4-3-11-12-5-8-21(27,16(26)10-22)20(12,2)9-15(25)17(11)19/h6-7,11-12,15,17-18,22,25,27H,3-5,8-10H2,1-2H3/t11-,12-,15-,17+,18?,19+,20-,21-/m0/s1

InChIKey

InChIKey=AKGNEJHNADLZKW-JGASLBSBSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(C[C@@H]3O)[C@](C(CO)=O)(O)CC4)[H])(CCC(=O)C1(C(=O)C=C2)[H])[H])[H]

Canonical SMILES

O=C1C=CC2(C)C1C(=O)CCC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C32

Other Names for this Substance

  • 1H-Indeno[5,4-e]azulene-6,7-dione, 2,3,3a,3b,4,5,6a,9a,9b,10,11,11a-dodecahydro-1,10-dihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-, (1R,3aS,3bS,9aR,9bS,10S,11aS)-
  • B-Homo-A-norpregn-1-ene-3,6,20-trione, 11β,17,21-trihydroxy-
  • (1R,3aS,3bS,9aR,9bS,10S,11aS)-2,3,3a,3b,4,5,6a,9a,9b,10,11,11a-Dodecahydro-1,10-dihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H-indeno[5,4-e]azulene-6,7-dione
  • Oxisopred

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