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2(1H)-Phenanthrenone, 3,4,4a,9,10,10a-hexahydro-7-methoxy-1,4a-dimethyl-1-[2-(1,4,4-trimethyl-3-oxocyclohexyl)ethyl]-, [1.alpha.(S*),4a.beta.,10a.alpha.]-(.+-.)-

View entire compound with spectra: 1 MS (GC)

2(1H)-Phenanthrenone, 3,4,4a,9,10,10a-hexahydro-7-methoxy-1,4a-dimethyl-1-[2-(1,4,4-trimethyl-3-oxocyclohexyl)ethyl]-, [1.alpha.(S*),4a.beta.,10a.alpha.]-(.+-.)-
SpectraBase Compound ID 9UTBS3FM0D1
InChI InChI=1S/C28H40O3/c1-25(2)13-14-26(3,18-24(25)30)15-16-28(5)22-10-7-19-17-20(31-6)8-9-21(19)27(22,4)12-11-23(28)29/h8-9,17,22H,7,10-16,18H2,1-6H3/t22-,26?,27-,28+/m1/s1
InChIKey PPLOEHVWBNEWKK-LXHSEBPKSA-N
Mol Weight 424.6 g/mol
Molecular Formula C28H40O3
Exact Mass 424.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FF0iRqrXnrF
Name 2(1H)-Phenanthrenone, 3,4,4a,9,10,10a-hexahydro-7-methoxy-1,4a-dimethyl-1-[2-(1,4,4-trimethyl-3-oxocyclohexyl)ethyl]-, [1.alpha.(S*),4a.beta.,10a.alpha.]-(.+-.)-
CAS Registry Number 68269-54-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40O3
InChI InChI=1S/C28H40O3/c1-25(2)13-14-26(3,18-24(25)30)15-16-28(5)22-10-7-19-17-20(31-6)8-9-21(19)27(22,4)12-11-23(28)29/h8-9,17,22H,7,10-16,18H2,1-6H3/t22-,26?,27-,28+/m1/s1
InChIKey PPLOEHVWBNEWKK-LXHSEBPKSA-N
Molecular Weight 424.625 g/mol
SMILES [C@]12([C@]([C@@](CCC3(CC(=O)C(CC3)(C)C)C)(C)C(CC1)=O)(CCc1c2ccc(OC)c1)[H])C
SPLASH splash10-0a4l-0096200000-9125a4c9848fe49c9b8b
Source of Spectrum I-56-2146-0
Synonyms (1S,4aS,10aR)-7-methoxy-1,4a-dimethyl-1-[2-(1,4,4-trimethyl-3-oxocyclohexyl)ethyl]-1,2,3,4,4a,9,10,10a-octahydrophenanthren-2-one 2-keto-1.beta.,4a.beta.-dimethyl-1.alpha.-(2-(3.alpha.-hydroxy-1,4,4-trimethylcyclohexyl)ethyl)-7-methoxy-1,2,3,4,4a,9-hexahydrophenanthrene
Wiley ID 1379460