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Cyclobuta[a]phenanthrene, D-norandrostane-16-carboxylic acid deriv.
SpectraBase Compound ID 3SNpryajl6I
InChI InChI=1S/C19H30O2/c1-18-9-4-3-5-12(18)6-7-13-14(18)8-10-19(2)15(13)11-16(19)17(20)21/h12-16H,3-11H2,1-2H3,(H,20,21)/t12-,13-,14+,15+,16+,18+,19+/m1/s1
InChIKey JYOUOXUTUYBVNA-BNSUEQOYSA-N
Mol Weight 290.45 g/mol
Molecular Formula C19H30O2
Exact Mass 290.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DZEfAaL3Il
Name Cyclobuta[a]phenanthrene, D-norandrostane-16-carboxylic acid deriv.
CAS Registry Number 112418-69-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O2
InChI InChI=1S/C19H30O2/c1-18-9-4-3-5-12(18)6-7-13-14(18)8-10-19(2)15(13)11-16(19)17(20)21/h12-16H,3-11H2,1-2H3,(H,20,21)/t12-,13-,14+,15+,16+,18+,19+/m1/s1
InChIKey JYOUOXUTUYBVNA-BNSUEQOYSA-N
Molecular Weight 290.447 g/mol
SMILES OC([C@]1([C@@]2([C@@]([C@@]3(CC[C@@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])([H])C1)C)[H])=O
SPLASH splash10-0aor-0970000000-4d34e45d2c0cc6db80a8
Source of Spectrum KC-1987-1251-16
Synonyms D-Norandrostane-16-carboxylic acid, (5.alpha.,13.alpha.,16.alpha.)- (1R,2aS,2bR,4aR,8aS,8bS,10aS)-8a,10a-dimethylhexadecahydrocyclobuta[a]phenanthrene-1-carboxylic acid 17-nor-5.alpha.,13.alpha.-androstane-16.alpha.-carboxylic acids
Wiley ID 1294049