Debug Info

object
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_id
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JUtZ5OCdLpb
spectrumID
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JUtZ5OCdLpb
cost
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specType
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131072
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WMSL3X:95183:1
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Mass Spectrum (GC)
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(5S,8R,9S,10S,13S,14S,17R)-10,13,17-trimethyl-17-oxidanyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
SpectraBase Compound ID 51RgXZXm8CX
InChI InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22H,4-12H2,1-3H3/t13-,15+,16-,17-,18-,19-,20+/m0/s1
InChIKey WYZDXEKUWRCKOB-FGVZMBKRSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUtZ5OCdLpb
Name (5S,8R,9S,10S,13S,14S,17R)-10,13,17-trimethyl-17-oxidanyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22H,4-12H2,1-3H3/t13-,15+,16-,17-,18-,19-,20+/m0/s1
InChIKey WYZDXEKUWRCKOB-FGVZMBKRSA-N
Molecular Weight 304.474 g/mol
SMILES O[C@]1([C@@]2([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])[H])(CC1)[H])C)C
SPLASH splash10-0fe1-0092000000-a64119e0d03a8de3cd19
Source of Spectrum O-20-11-2
Synonyms (5S,8R,9S,10S,13S,14S,17R)-17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Wiley ID 1306934
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