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[4aS-(4a.alpha.,4b.beta.,8.alpha.,8a.alpha.,10a.beta.)]- and [4aS-(4a.alpha.,4b.beta.,8a.alpha.,10a.beta.)]-8-butyl-1,2,3,4,4a,4b,8,8a,9,10,10a-dodecahydro-1,1,4a,7,8a-pentamethylphenanthrene
SpectraBase Compound ID 4QfEZH1UAUg
InChI InChI=1S/C23H40/c1-7-8-10-18-17(2)11-12-20-22(18,5)16-13-19-21(3,4)14-9-15-23(19,20)6/h11-12,17-20H,7-10,13-16H2,1-6H3/t17?,18-,19+,20+,22+,23+/m0/s1
InChIKey MQXILYMYRQMXST-ZNNWMOTJSA-N
Mol Weight 316.6 g/mol
Molecular Formula C23H40
Exact Mass 316.313001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIckEJeRySH
Name [4aS-(4a.alpha.,4b.beta.,8.alpha.,8a.alpha.,10a.beta.)]- and [4aS-(4a.alpha.,4b.beta.,8a.alpha.,10a.beta.)]-8-butyl-1,2,3,4,4a,4b,8,8a,9,10,10a-dodecahydro-1,1,4a,7,8a-pentamethylphenanthrene
CAS Registry Number 87953-40-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H40
InChI InChI=1S/C23H40/c1-7-8-10-18-17(2)11-12-20-22(18,5)16-13-19-21(3,4)14-9-15-23(19,20)6/h11-12,17-20H,7-10,13-16H2,1-6H3/t17?,18-,19+,20+,22+,23+/m0/s1
InChIKey MQXILYMYRQMXST-ZNNWMOTJSA-N
Molecular Weight 316.573 g/mol
SMILES [C@@]12([C@]([C@@]3(CCCC([C@]3(CC2)[H])(C)C)C)(C=CC([C@@]1(CCCC)[H])C)[H])C
SPLASH splash10-0abc-0911000000-2d89e246fc4c6d89fa87
Source of Spectrum J-49-331-0
Synonyms (5beta,8alpha,9beta,10alpha,14alpha)-14-butyl-8,13-dimethylpodocarp-11-ene
Wiley ID 1317420