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1-Phenanthrenecarboxylic acid, 3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2,4b,8,8,10a-pentamethyl-3- oxo-, methyl ester, (4a.alpha.,4b.beta.,8a.alpha.,10a.beta.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

1-Phenanthrenecarboxylic acid, 3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2,4b,8,8,10a-pentamethyl-3- oxo-, methyl ester, (4a.alpha.,4b.beta.,8a.alpha.,10a.beta.)-(.+-.)-
SpectraBase Compound ID KbzDr9XdTqq
InChI InChI=1S/C21H32O3/c1-13-14(22)12-16-20(4)10-7-9-19(2,3)15(20)8-11-21(16,5)17(13)18(23)24-6/h15-16H,7-12H2,1-6H3/t15-,16+,20-,21+/m1/s1
InChIKey MKQZLDFSPWCEJZ-XTCWOQMQSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8V4Ve3G5XxT
Name 1-Phenanthrenecarboxylic acid, 3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2,4b,8,8,10a-pentamethyl-3- oxo-, methyl ester, (4a.alpha.,4b.beta.,8a.alpha.,10a.beta.)-(.+-.)-
CAS Registry Number 82570-45-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-13-14(22)12-16-20(4)10-7-9-19(2,3)15(20)8-11-21(16,5)17(13)18(23)24-6/h15-16H,7-12H2,1-6H3/t15-,16+,20-,21+/m1/s1
InChIKey MKQZLDFSPWCEJZ-XTCWOQMQSA-N
Molecular Weight 332.484 g/mol
SMILES [C@@]12(C(=C(C)C(C[C@]2([C@@]2(CCCC([C@]2(CC1)[H])(C)C)C)[H])=O)C(=O)OC)C
SPLASH splash10-000i-0910000000-0880ebd23af508d447d4
Source of Spectrum KC-1983-138-0
Synonyms 1,1,4a,7,8a-Pentamethyl-8-methoxycarbonyl-6-oxo-1,2,3,4,4a,5,5a,6,8a,9,10,10a-dodecahydrophenanthrene
Wiley ID 1329775