Debug Info

object
{15}
_id
:
HyxFO7mpo48
spectrumID
:
HyxFO7mpo48
cost
:
1
specType
:
131072
xnmrNucleus
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0
dbLocation
:
WMS3X:305252:1
hasStructureAssignments
:
false
properties
{11}
analyticalTechnique
:
MS (GC)
analyticalTechniqueLongName
:
Mass Spectrum (GC)
isFullSpectrum
:
false
spectralOutlier
:
false
compound
{10}
lastUpdated
:
1735074081058
isDeprecated
:
false

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(+,-)-7(8->11a)abeo-estra-1,3,5(10)-triene-3,17b-diol
SpectraBase Compound ID DGxQplX51HX
InChI InChI=1S/C18H24O2/c1-18-10-12-3-2-11-8-14(19)5-6-15(11)16(12)9-13(18)4-7-17(18)20/h5-6,8,12-13,16-17,19-20H,2-4,7,9-10H2,1H3/t12-,13?,16+,17-,18-/m0/s1
InChIKey XNPOXRMAQORVOT-MZVYCXRTSA-N
Mol Weight 272.39 g/mol
Molecular Formula C18H24O2
Exact Mass 272.17763 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyxFO7mpo48
Name (+,-)-7(8->11a)abeo-estra-1,3,5(10)-triene-3,17b-diol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O2
InChI InChI=1S/C18H24O2/c1-18-10-12-3-2-11-8-14(19)5-6-15(11)16(12)9-13(18)4-7-17(18)20/h5-6,8,12-13,16-17,19-20H,2-4,7,9-10H2,1H3/t12-,13?,16+,17-,18-/m0/s1
InChIKey XNPOXRMAQORVOT-MZVYCXRTSA-N
Molecular Weight 272.388 g/mol
SMILES O[C@@]1([C@@]2(C(C[C@]3(c4ccc(cc4CC[C@]3(C2)[H])O)[H])CC1)C)[H]
SPLASH splash10-0a4j-0920000000-c45d5b3736cef318f121
Source of Spectrum B-45-71-0
Synonyms (7aS,8S)-7a-methyl-6,6a,7,7a,8,9,10,10a,11,11a-decahydro-5H-cyclopenta[b]phenanthrene-3,8-diol
Wiley ID 1276617
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