rel-(3aR,3bS,6aS,7aR)-3a,3b,4,5,6,6a,7,7a-Octahydro-3,3a,3b,7a-tetrahydroxy-6,6-dimethyl-5-(1-methylethylidene)-2-(3-methyl-1-oxobutyl)-1H-cyclopenta[a]pentalen-1-one

CAS Registry Number®

83680-60-8

CAS Name

rel-(3aR,3bS,6aS,7aR)-3a,3b,4,5,6,6a,7,7a-Octahydro-3,3a,3b,7a-tetrahydroxy-6,6-dimethyl-5-(1-methylethylidene)-2-(3-methyl-1-oxobutyl)-1H-cyclopenta[a]pentalen-1-one

Molecular Formula

C21H30O6

Molecular Mass

378.46

Cite this Page

rel-(3aR,3bS,6aS,7aR)-3a,3b,4,5,6,6a,7,7a-Octahydro-3,3a,3b,7a-tetrahydroxy-6,6-dimethyl-5-(1-methylethylidene)-2-(3-methyl-1-oxobutyl)-1H-cyclopenta[a]pentalen-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83680-60-8 (retrieved 2024-11-22) (CAS RN: 83680-60-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C21H30O6/c1-10(2)7-13(22)15-16(23)20(26)9-14-18(5,6)12(11(3)4)8-19(14,25)21(20,27)17(15)24/h10,14,24-27H,7-9H2,1-6H3/t14-,19-,20-,21-/s2

InChIKey

InChIKey=WDCHYVUCXSBTMH-HYQAQHPLNA-N

SMILES

O[C@@]12[C@@]3(O)[C@@](O)(C[C@@]1(C(C)(C)C(=C(C)C)C2)[H])C(=O)C(C(CC(C)C)=O)=C3O

Canonical SMILES

O=C(C=1C(=O)C2(O)CC3C(C(=C(C)C)CC3(O)C2(O)C1O)(C)C)CC(C)C

Other Names for this Substance

  • 1H-Cyclopenta[a]pentalen-1-one, 3a,3b,4,5,6,6a,7,7a-octahydro-3,3a,3b,7a-tetrahydroxy-6,6-dimethyl-5-(1-methylethylidene)-2-(3-methyl-1-oxobutyl)-, (3aR,3bS,6aS,7aR)-rel-
  • 1H-Cyclopenta[a]pentalen-1-one, 3a,3b,4,5,6,6a,7,7a-octahydro-3,3a,3b,7a-tetrahydroxy-6,6-dimethyl-5-(1-methylethylidene)-2-(3-methyl-1-oxobutyl)-, (3aα,3bα,6aα,7aα)-(±)-
  • rel-(3aR,3bS,6aS,7aR)-3a,3b,4,5,6,6a,7,7a-Octahydro-3,3a,3b,7a-tetrahydroxy-6,6-dimethyl-5-(1-methylethylidene)-2-(3-methyl-1-oxobutyl)-1H-cyclopenta[a]pentalen-1-one
  • Isohumulinone A
  • 1H-Cyclopenta[a]pentalen-1-one, 3a,3b,4,5,6,6a,7,7a-octahydro-3,3a,3b,7a-tetrahydroxy-6,6-dimethyl-5-(1-methylethylidene)-2-(3-methyl-1-oxobutyl)-, (3aα,3bα,6aα,7aα)-

Deleted or Replaced CAS Registry Numbers

91841-23-5

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