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17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID GK8GqAIyMTA
InChI InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+
InChIKey OIMXTYUHMBQQJM-BQYQJAHWSA-N
Mol Weight 392.6 g/mol
Molecular Formula C28H40O
Exact Mass 392.307916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13onOoggM3Z
Name 10,13-Dimethyl-17-(1,4,5-trimethyl-hex-2-enyl)-1,2,9,10,11,12,13,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Alternate Name(s) (22E)-Ergosta-4,6,8(14),22-tetraen-3-one 10,13-dimethyl-17-[(E)-1,4,5-trimethylhex-2-enyl]-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one 17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one Ergosta-4,6,8(14),22-tetraen-3-one
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Formula C28H40O
InChI InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+
InChIKey OIMXTYUHMBQQJM-BQYQJAHWSA-N
Molecular Weight 392.627 g/mol
SMILES C1(=O)CCC2(C)C(=C1)C=CC=1C2CCC2(C)C1CCC2C(\C=C\C(C)C(C)C)C
SPLASH splash10-014i-0191000000-687247a7652219d0bfbe
Source of Spectrum Y1-37-384-0
Wiley ID 1527382