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Androstane-16,17-diol, cyclic carbonate, (16.alpha.,17.alpha.)-
SpectraBase Compound ID KnsrFGqrnNv
InChI InChI=1S/C20H30O3/c1-19-9-4-3-5-12(19)6-7-13-14(19)8-10-20(2)15(13)11-16-17(20)23-18(21)22-16/h12-17H,3-11H2,1-2H3/t12?,13-,14+,15+,16-,17-,19+,20+/m1/s1
InChIKey MXIPTPSCWKITAU-OACHKKGCSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNwG2QQA8EB
Name Androstane-16,17-diol, cyclic carbonate, (16.alpha.,17.alpha.)-
CAS Registry Number 80235-47-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-19-9-4-3-5-12(19)6-7-13-14(19)8-10-20(2)15(13)11-16-17(20)23-18(21)22-16/h12-17H,3-11H2,1-2H3/t12?,13-,14+,15+,16-,17-,19+,20+/m1/s1
InChIKey MXIPTPSCWKITAU-OACHKKGCSA-N
Molecular Weight 318.457 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC4[C@]([C@]3(CC2)[H])(C)CCCC4)[H])(C[C@@]2([C@]1(OC(=O)O2)[H])[H])[H])C
SPLASH splash10-02t9-0094000000-eb8433bfdb2c3d87c6b7
Source of Spectrum AH-112-1051-0
Synonyms (4aS,4bS,6aS,6bS,9aR,10aS,10bR)-4a,6a-dimethylhexadecahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-8-one 16.alpha.,17.alpha.-carbonoatoandrostane 1H-naphth[2',1':4,5]indeno[1,2-d][1,3]dioxole, androstane-16,17-diol deriv.
Wiley ID 1318789