(3aR,5aR,9R,10aR)-2,3,3a,4,5,5a,6,9,10,10a-Decahydro-9-hydroxy-3a,5a-dimethyl-1-(1-methylethyl)-6-oxocyclohept[e]indene-8-carboxaldehyde

CAS Registry Number®

51727-84-5

CAS Name

(3aR,5aR,9R,10aR)-2,3,3a,4,5,5a,6,9,10,10a-Decahydro-9-hydroxy-3a,5a-dimethyl-1-(1-methylethyl)-6-oxocyclohept[e]indene-8-carboxaldehyde

Molecular Formula

C20H28O3

Molecular Mass

316.43

Cite this Page

(3aR,5aR,9R,10aR)-2,3,3a,4,5,5a,6,9,10,10a-Decahydro-9-hydroxy-3a,5a-dimethyl-1-(1-methylethyl)-6-oxocyclohept[e]indene-8-carboxaldehyde.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51727-84-5 (retrieved 2025-01-03) (CAS RN: 51727-84-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H28O3/c1-12(2)14-5-6-19(3)7-8-20(4)15(18(14)19)10-16(22)13(11-21)9-17(20)23/h9,11-12,15-16,22H,5-8,10H2,1-4H3/t15-,16-,19-,20-/m1/s1

InChIKey

InChIKey=HTEKHSBJKOVLAK-XNFNUYLZSA-N

SMILES

C[C@]12C([C@@]3([C@](C)(C(=O)C=C(C=O)[C@H](O)C3)CC1)[H])=C(C(C)C)CC2

Canonical SMILES

O=CC1=CC(=O)C2(C)CCC3(C(=C(CC3)C(C)C)C2CC1O)C

Other Names for this Substance

  • Cyclohept[e]indene-8-carboxaldehyde, 2,3,3a,4,5,5a,6,9,10,10a-decahydro-9-hydroxy-3a,5a-dimethyl-1-(1-methylethyl)-6-oxo-, (3aR,5aR,9R,10aR)-
  • Cyclohept[e]indene-8-carboxaldehyde, 2,3,3a,4,5,5a,6,9,10,10a-decahydro-9-hydroxy-3a,5a-dimethyl-1-(1-methylethyl)-6-oxo-, [3aR-(3aα,5aβ,9β,10aα)]-
  • (3aR,5aR,9R,10aR)-2,3,3a,4,5,5a,6,9,10,10a-Decahydro-9-hydroxy-3a,5a-dimethyl-1-(1-methylethyl)-6-oxocyclohept[e]indene-8-carboxaldehyde
  • Cyathin B3
  • NSC 310622

Deleted or Replaced CAS Registry Numbers

11081-20-2

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