Debug Info

object
{15}
_id
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7nMOu8GmAu8
spectrumID
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7nMOu8GmAu8
cost
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1
specType
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131072
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dbLocation
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WMS3X:515258:1
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
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compound
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1.alpha.,2.alpha.-Epoxy-25-hydroxy-19-nor-vitamin D3
SpectraBase Compound ID AYlh5moL7aA
InChI InChI=1S/C26H42O3/c1-17(7-5-13-25(2,3)28)20-11-12-21-19(8-6-14-26(20,21)4)10-9-18-15-22(27)24-23(16-18)29-24/h9-10,17,20-24,27-28H,5-8,11-16H2,1-4H3/b18-9-,19-10+/t17-,20-,21+,22-,23-,24+,26-/m1/s1
InChIKey RGZNSLRVRXXNJK-YUAOTPKASA-N
Mol Weight 402.6 g/mol
Molecular Formula C26H42O3
Exact Mass 402.313395 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7nMOu8GmAu8
Name 1.alpha.,2.alpha.-Epoxy-25-hydroxy-19-nor-vitamin D3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O3
InChI InChI=1S/C26H42O3/c1-17(7-5-13-25(2,3)28)20-11-12-21-19(8-6-14-26(20,21)4)10-9-18-15-22(27)24-23(16-18)29-24/h9-10,17,20-24,27-28H,5-8,11-16H2,1-4H3/b18-9-,19-10+/t17-,20-,21+,22-,23-,24+,26-/m1/s1
InChIKey RGZNSLRVRXXNJK-YUAOTPKASA-N
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/jm900711d
Molecular Weight 402.619 g/mol
Reported Formula C26H42O3
SMILES O[C@@]1(C\C(=C\C=C/2CCC[C@@]3([C@@]([C@@](CCCC(C)(C)O)(C)[H])(CC[C@@]23[H])[H])C)C[C@@]2([C@]1(O2)[H])[H])[H]
SPLASH splash10-0016-9443100000-fe1a60819a719643d83d
Source of Spectrum AF-52-SM10-9
Wiley ID 1873631
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