(1S,2S,3R,4R,4aS,5R,7R,8aS,10Z)-Decahydro-1,2,7-trihydroxy-10-(hydroxymethylene)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-1,4-ethanonaphthalen-9-one

CAS Registry Number®

85269-22-3

CAS Name

(1S,2S,3R,4R,4aS,5R,7R,8aS,10Z)-Decahydro-1,2,7-trihydroxy-10-(hydroxymethylene)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-1,4-ethanonaphthalen-9-one

Molecular Formula

C21H34O5

Molecular Mass

366.49

Cite this Page

(1S,2S,3R,4R,4aS,5R,7R,8aS,10Z)-Decahydro-1,2,7-trihydroxy-10-(hydroxymethylene)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-1,4-ethanonaphthalen-9-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85269-22-3 (retrieved 2024-11-22) (CAS RN: 85269-22-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H34O5/c1-7-11(2)16-19(5)15-12(3)8-18(4,24)9-13(15)21(26,20(16,6)25)14(10-22)17(19)23/h10-13,15-16,22,24-26H,7-9H2,1-6H3/b14-10+/t11-,12-,13+,15+,16-,18-,19-,20+,21+/m1/s1

InChIKey

InChIKey=FHJXKTOXQHRDTL-PSWVRJCXSA-N

SMILES

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

Canonical SMILES

O=C1C(=CO)C2(O)C3CC(O)(C)CC(C)C3C1(C)C(C(C)CC)C2(O)C

Other Names for this Substance

  • 1,4-Ethanonaphthalen-9-one, decahydro-1,2,7-trihydroxy-10-(hydroxymethylene)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-, (1S,2S,3R,4R,4aS,5R,7R,8aS,10Z)-
  • 1,4-Ethanonaphthalen-2(1H)-one, octahydro-4,6,9-trihydroxy-3-(hydroxymethylene)-1,6,8,9-tetramethyl-10-(1-methylpropyl)-, [1R-[1α,3Z,4β,4aα,6α,8β,8aβ,9S*,10R*(R*)]]-
  • 1,4-Ethanonaphthalen-2(1H)-one, octahydro-4,6,9-trihydroxy-3-(hydroxymethylene)-1,6,8,9-tetramethyl-10-[(1R)-1-methylpropyl]-, (1R,3Z,4S,4aS,6R,8R,8aS,9S,10R)-
  • (1S,2S,3R,4R,4aS,5R,7R,8aS,10Z)-Decahydro-1,2,7-trihydroxy-10-(hydroxymethylene)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-1,4-ethanonaphthalen-9-one
  • Betaenone A

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CAS INSIGHTSTM
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