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(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R)-4-ethyl-1,5,5-trimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 1 MS (GC)

(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R)-4-ethyl-1,5,5-trimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID BBcaDBYJelL
InChI InChI=1S/C30H50O/c1-8-21(28(3,4)5)10-9-20(2)25-13-14-26-24-12-11-22-19-23(31)15-17-29(22,6)27(24)16-18-30(25,26)7/h9-11,20-21,23-27,31H,8,12-19H2,1-7H3/b10-9+/t20-,21?,23+,24+,25-,26+,27+,29+,30-/m1/s1
InChIKey CJXUANYDAMFSHZ-FOERSVBJSA-N
Mol Weight 426.7 g/mol
Molecular Formula C30H50O
Exact Mass 426.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sb4DYtfns
Name (3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R)-4-ethyl-1,5,5-trimethyl-hex-2-enyl]-10,13-dimethyl-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 C30H50O
InChI InChI=1S/C30H50O/c1-8-21(28(3,4)5)10-9-20(2)25-13-14-26-24-12-11-22-19-23(31)15-17-29(22,6)27(24)16-18-30(25,26)7/h9-11,20-21,23-27,31H,8,12-19H2,1-7H3/b10-9+/t20-,21?,23+,24+,25-,26+,27+,29+,30-/m1/s1
InChIKey CJXUANYDAMFSHZ-FOERSVBJSA-N
Molecular Weight 426.729 g/mol
SMILES O[C@]1(CC[C@]2(C(C1)=CC[C@]1([C@@]3(CC[C@]([C@@](\C=C\C(C(C)(C)C)CC)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)[H]
SPLASH splash10-0fk9-0059100000-0406c7c30985ac90bccf
Source of Spectrum X4-20-440-0
Synonyms (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-5-ethyl-6,6-dimethyl-hept-3-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 1585714