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[3aS-(3a.alpha.,5aS,7a.alpha.,11a.beta.,11b.alpha.)]-(+)-1,6,7,7a,8,9,10,11,11a,11b-Decahydro-8,8,11a-trimethyl-2H-cyclobuta[j]phenanthren-3(3aH)-one

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[3aS-(3a.alpha.,5aS,7a.alpha.,11a.beta.,11b.alpha.)]-(+)-1,6,7,7a,8,9,10,11,11a,11b-Decahydro-8,8,11a-trimethyl-2H-cyclobuta[j]phenanthren-3(3aH)-one
SpectraBase Compound ID ErKnv6y5szo
InChI InChI=1S/C19H28O/c1-17(2)9-4-10-18(3)15(17)8-12-19-11-7-13(19)14(20)5-6-16(18)19/h7,11,13,15-16H,4-6,8-10,12H2,1-3H3/t13-,15+,16-,18+,19-/m0/s1
InChIKey ZWHQUJCUUFDEGC-MCLUSKDASA-N
Mol Weight 272.43 g/mol
Molecular Formula C19H28O
Exact Mass 272.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3nwQqTKcj2
Name [3aS-(3a.alpha.,5aS,7a.alpha.,11a.beta.,11b.alpha.)]-(+)-1,6,7,7a,8,9,10,11,11a,11b-Decahydro-8,8,11a-trimethyl-2H-cyclobuta[j]phenanthren-3(3aH)-one
CAS Registry Number 57710-52-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O
InChI InChI=1S/C19H28O/c1-17(2)9-4-10-18(3)15(17)8-12-19-11-7-13(19)14(20)5-6-16(18)19/h7,11,13,15-16H,4-6,8-10,12H2,1-3H3/t13-,15+,16-,18+,19-/m0/s1
InChIKey ZWHQUJCUUFDEGC-MCLUSKDASA-N
Molecular Weight 272.432 g/mol
SMILES [C@@]123[C@]([C@@]4(CCCC([C@]4(CC3)[H])(C)C)C)(CCC([C@@]2(C=C1)[H])=O)[H]
SPLASH splash10-0006-9110000000-2032961346ab1b41f66b
Source of Spectrum J-57-6866-6
Synonyms (3aR,5aS,7aR,11aR,11bS)-8,8,11a-trimethyl-1,6,7,7a,8,9,10,11,11a,11b-decahydro-2H-cyclobuta[j]phenanthren-3(3aH)-one
Wiley ID 1276734