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

View entire compound with spectra: 1 MS (GC)

2(1H)-Phenanthrenone, 3,4,4a,9-tetrahydro-7-methoxy-1,4a-dimethyl-1-[2-(1,4,4-trimethyl-3-o xocyclohexyl)ethyl]-, [1.alpha.(S*),4a.beta.]-(.+-.)-
SpectraBase Compound ID E8I2pMe0gnh
InChI InChI=1S/C28H38O3/c1-17-18(2)26(30)23(11-12-28(5)14-13-27(3,4)24(29)16-28)22-9-7-19-15-20(31-6)8-10-21(19)25(17)22/h8-10,15,17-18,23,25H,7,11-14,16H2,1-6H3/t17?,18?,23-,25+,28?/m0/s1
InChIKey KNUPPGLAKZDJQR-YEEPXMRNSA-N
Mol Weight 422.6 g/mol
Molecular Formula C28H38O3
Exact Mass 422.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmQGGWFDn30
Name 2(1H)-Phenanthrenone, 3,4,4a,9-tetrahydro-7-methoxy-1,4a-dimethyl-1-[2-(1,4,4-trimethyl-3-o xocyclohexyl)ethyl]-, [1.alpha.(S*),4a.beta.]-(.+-.)-
Alternate Name(s) (1S,4aS)-7-methoxy-3,4-dimethyl-1-[2-(1,4,4-trimethyl-3-oxocyclohexyl)ethyl]-3,4,4a,9-tetrahydro-2(1H)-phenanthrenone 2-keto-1.beta.,4a.beta.-dimethyl-1.alpha.-(2-(3-keto-1,4,4-trimethylcyclohexyl)ethyl)-7-methoxy-1,2,3,4,4a,9-hexahydrophenanthrene
CAS Registry Number 68331-15-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38O3
InChI InChI=1S/C28H38O3/c1-17-18(2)26(30)23(11-12-28(5)14-13-27(3,4)24(29)16-28)22-9-7-19-15-20(31-6)8-10-21(19)25(17)22/h8-10,15,17-18,23,25H,7,11-14,16H2,1-6H3/t17?,18?,23-,25+,28?/m0/s1
InChIKey KNUPPGLAKZDJQR-YEEPXMRNSA-N
Molecular Weight 422.609 g/mol
SMILES C=12[C@](C(C)C(C([C@]2(CCC2(CC(=O)C(CC2)(C)C)C)[H])=O)C)(c2ccc(cc2CC1)OC)[H]
SPLASH splash10-0a4i-0095100000-bf0cd05a7c95fd5582f6
Source of Spectrum I-56-2146-0
Wiley ID 1378807