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SITOST-4-EN-3-ONE
SpectraBase Compound ID 65hArok6eHF
InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey RUVUHIUYGJBLGI-XJZKHKOHSA-N
Mol Weight 412.7 g/mol
Molecular Formula C29H48O
Exact Mass 412.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BADWgHqxLJJ
Name (8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Appearance Pale yellow cluster crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey RUVUHIUYGJBLGI-XJZKHKOHSA-N
Instrument Name US HP-5973
Ionization Type EI
Molecular Weight 412.702 g/mol
SMILES C1(C=C2[C@](CC1)([C@@]1([C@@](CC2)([C@]2([C@](CC1)([C@](CC2)([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])[H])C)[H])[H])[H])C)=O
SPLASH splash10-05fv-9630100000-d61e967200d8b4656f46
Source of Spectrum CN103599145A
Wiley ID 1849588