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(3S,7R,8S,9S,10R,13R,14S,17R)-7-amino-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID 8Mgs3Jlxtxq
InChI InChI=1S/C27H47NO/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(29)15-19(26)16-24(25)28/h16-18,20-25,29H,6-15,28H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1
InChIKey WLHQSAYHIOPMMJ-KGZHIOMZSA-N
Mol Weight 401.7 g/mol
Molecular Formula C27H47NO
Exact Mass 401.365765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Sr3z2weQfO
Name (3S,7R,8S,9S,10R,13R,14S,17R)-7-amino-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H47NO
InChI InChI=1S/C27H47NO/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(29)15-19(26)16-24(25)28/h16-18,20-25,29H,6-15,28H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1
InChIKey WLHQSAYHIOPMMJ-KGZHIOMZSA-N
Molecular Weight 401.679 g/mol
SMILES O[C@]1(CC[C@]2(C(=C[C@@]([C@]3([C@]4([C@](CC[C@]23[H])([C@](CC4)([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])(N)[H])C1)C)[H]
SPLASH splash10-000i-0396400000-5ed0b3e14edc49a346f6
Source of Spectrum U1-2002-4077-1
Synonyms (3S,7R,8S,9S,10R,13R,14S,17R)-7-amino-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,7R,8S,9S,10R,13R,14S,17R)-7-azanyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1523576