Debug Info

object
{15}
_id
:
JSsmQWZZTop
spectrumID
:
JSsmQWZZTop
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMSL3X:131465:1
hasStructureAssignments
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false
properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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false
spectralOutlier
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false
compound
{10}
lastUpdated
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1735074081058
isDeprecated
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false

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(2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propane-1,2-diol
SpectraBase Compound ID EUZbDplo0WM
InChI InChI=1S/C22H36O3/c1-20-10-8-15(24)12-14(20)4-5-16-17-6-7-19(22(3,25)13-23)21(17,2)11-9-18(16)20/h4,15-19,23-25H,5-13H2,1-3H3/t15-,16-,17-,18-,19+,20-,21-,22+/m0/s1
InChIKey UVAKZQFWLJMOJC-SDJHNBRXSA-N
Mol Weight 348.5 g/mol
Molecular Formula C22H36O3
Exact Mass 348.266445 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSsmQWZZTop
Name (2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propane-1,2-diol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O3
InChI InChI=1S/C22H36O3/c1-20-10-8-15(24)12-14(20)4-5-16-17-6-7-19(22(3,25)13-23)21(17,2)11-9-18(16)20/h4,15-19,23-25H,5-13H2,1-3H3/t15-,16-,17-,18-,19+,20-,21-,22+/m0/s1
InChIKey UVAKZQFWLJMOJC-SDJHNBRXSA-N
Molecular Weight 348.527 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@@]3([C@@]2(CC[C@]2([C@]3(CC[C@]2([C@@](C)(CO)O)[H])[H])C)[H])[H])C1)C)[H]
SPLASH splash10-01ba-0089000000-91ea23edad646a2e4eb1
Source of Spectrum SI-6-75-F,17
Synonyms 2-((3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)propane-1,2-diol
Wiley ID 1813446
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