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20-(R)-(hepta-2',4'-diynyl)-pregn-5-en-3-β-ol
SpectraBase Compound ID JttW2e9WvWA
InChI InChI=1S/C28H40O/c1-5-6-7-8-9-10-20(2)24-13-14-25-23-12-11-21-19-22(29)15-17-27(21,3)26(23)16-18-28(24,25)4/h11,20,22-26,29H,5,10,12-19H2,1-4H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey CASQFPBRLOPTNB-PXBBAZSNSA-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 8Kxocf7xU77
Name (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1-methylocta-3,5-diynyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Alternate Name(s) (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-nona-4,6-diyn-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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Formula C28H40O
InChI InChI=1S/C28H40O/c1-5-6-7-8-9-10-20(2)24-13-14-25-23-12-11-21-19-22(29)15-17-27(21,3)26(23)16-18-28(24,25)4/h11,20,22-26,29H,5,10,12-19H2,1-4H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey CASQFPBRLOPTNB-PXBBAZSNSA-N
Molecular Weight 392.627 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CC#CC#CCC)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0a4m-7910000000-eb736f387e4addacdf08
Source of Spectrum KC-0-2939-4
Wiley ID 784530