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(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,1R)-1,3,5-trimethylhex-3-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID CPI82x6dbwz
InChI InChI=1S/C28H46O/c1-18(2)15-19(3)16-20(4)24-9-10-25-23-8-7-21-17-22(29)11-13-27(21,5)26(23)12-14-28(24,25)6/h7,15,18,20,22-26,29H,8-14,16-17H2,1-6H3/b19-15+/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey PITPNPNGRLEMBF-MYHRNMKASA-N
Mol Weight 398.7 g/mol
Molecular Formula C28H46O
Exact Mass 398.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdXaL7sJQpn
Name (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,1R)-1,3,5-trimethylhex-3-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number 82903-17-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O
InChI InChI=1S/C28H46O/c1-18(2)15-19(3)16-20(4)24-9-10-25-23-8-7-21-17-22(29)11-13-27(21,5)26(23)12-14-28(24,25)6/h7,15,18,20,22-26,29H,8-14,16-17H2,1-6H3/b19-15+/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey PITPNPNGRLEMBF-MYHRNMKASA-N
Molecular Weight 398.675 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](C\C(=C\C(C)C)C)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0ue9-0098000000-91e075207ae129c4ac08
Source of Spectrum J-47-4303-0
Synonyms (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-4,6-dimethylhept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1368752