Debug Info

object
{15}
_id
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DQspdlwodIp
spectrumID
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DQspdlwodIp
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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CNHS4X:46199:1
hasStructureAssignments
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properties
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
isFullSpectrum
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compound
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1,(5Alpha)-androsten-17BETA-ol-3-one tetrahydropyranyl ether
SpectraBase Compound ID Io0LUXrDTpJ
InChI InChI=1S/C24H36O3/c1-23-12-10-17(25)15-16(23)6-7-18-19-8-9-21(24(19,2)13-11-20(18)23)27-22-5-3-4-14-26-22/h10,12,16,18-22H,3-9,11,13-15H2,1-2H3/t16-,18-,19-,20-,21-,22?,23-,24-/m0/s1
InChIKey CBSPIOZBUHOZGT-IDDIOARPSA-N
Mol Weight 372.5 g/mol
Molecular Formula C24H36O3
Exact Mass 372.266445 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DQspdlwodIp
Name 1,(5Alpha)-androsten-17BETA-ol-3-one tetrahydropyranyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.266445016 u
Formula C24H36O3
InChI InChI=1S/C24H36O3/c1-23-12-10-17(25)15-16(23)6-7-18-19-8-9-21(24(19,2)13-11-20(18)23)27-22-5-3-4-14-26-22/h10,12,16,18-22H,3-9,11,13-15H2,1-2H3/t16-,18-,19-,20-,21-,22?,23-,24-/m0/s1
InChIKey CBSPIOZBUHOZGT-IDDIOARPSA-N
Molecular Weight 372.549 g/mol
SMILES C=1[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@]2(CC(C1)=O)[H])[H])[H])(OC1OCCCC1)[H])C)[H])C
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