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Androstane-2-d-3,5,17-triol, (2.beta.,3.alpha.,5.alpha.,17.beta.)-
SpectraBase Compound ID KsUOuyeIQBf
InChI InChI=1S/C19H32O3/c1-17-8-7-15-13(14(17)3-4-16(17)21)6-10-19(22)11-12(20)5-9-18(15,19)2/h12-16,20-22H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17+,18-,19-/m1/s1/i5D/t5-,12+,13-,14-,15-,16-,17-,18+,19+/m0
InChIKey VNLJEDUMXCEOBK-XTGMUVKTSA-N
Mol Weight 309.47 g/mol
Molecular Formula C19H312DO3
Exact Mass 309.241422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5EikUEQMthK
Name Androstane-2-d-3,5,17-triol, (2.beta.,3.alpha.,5.alpha.,17.beta.)-
CAS Registry Number 117981-78-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H31DO3
InChI InChI=1S/C19H32O3/c1-17-8-7-15-13(14(17)3-4-16(17)21)6-10-19(22)11-12(20)5-9-18(15,19)2/h12-16,20-22H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17+,18-,19-/m1/s1/i5D/t5-,12+,13-,14-,15-,16-,17-,18+,19+/m0
InChIKey VNLJEDUMXCEOBK-XTGMUVKTSA-N
Molecular Weight 309.468 g/mol
SMILES O[C@@]1([C@](C[C@]2([C@@](CC[C@@]3([C@@]2(CC[C@@]2([C@](CC[C@@]32[H])(O)[H])C)[H])[H])(C1)O)C)([2D])[H])[H]
SPLASH splash10-059f-0090000000-319334f38404ea08b45a
Source of Spectrum KC-1988-2030-6
Synonyms 2.beta.-deuterio-5.alpha.-androstane-3.alpha.,5,17.beta.-triol
Wiley ID 1310156