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18-Nor-16-oxaandrostane-8-carboxaldehyde, 7-(acetyloxy)-15-hydroxy-4,4-dimethyl-17-oxo-, cyclic 8,15-hemiacetal, [5.alpha.,7.alpha.,8(R),13.alpha.,15.beta.]-
SpectraBase Compound ID B554LDeBTGe
InChI InChI=1S/C22H32O6/c1-11(23)26-15-10-14-20(2,3)8-5-9-21(14,4)13-7-6-12-16-18(27-17(12)24)28-19(25)22(13,15)16/h12-16,18-19,25H,5-10H2,1-4H3/t12-,13-,14+,15-,16?,18?,19?,21-,22?/m1/s1
InChIKey SJUIUZNWNSLYJG-IUZUNESWSA-N
Mol Weight 392.5 g/mol
Molecular Formula C22H32O6
Exact Mass 392.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5iMfgLAnBVz
Name 18-Nor-16-oxaandrostane-8-carboxaldehyde, 7-(acetyloxy)-15-hydroxy-4,4-dimethyl-17-oxo-, cyclic 8,15-hemiacetal, [5.alpha.,7.alpha.,8(R),13.alpha.,15.beta.]-
Alternate Name(s) 2H,10H-Furo[2,3,4-cd]naphth[2,1-e]isobenzofuran, 18-nor-16-oxaandrostane-8-carboxaldehyde deriv. (5R*,7S*,8R*,9S*,10R*,13S*,14S*,15S*)-15,17-epoxy-17-hydroxy-16-oxospongian-7-yl acetate (5R,6aS,10aS,10bR,12aR)-4-hydroxy-7,7,10a-trimethyl-1-oxotetradecahydro-1H-furo[2,3,4-cd]naphtho[2,1-e][2]benzofuran-5-yl acetate Aplyroseol 2
CAS Registry Number 96999-35-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O6
InChI InChI=1S/C22H32O6/c1-11(23)26-15-10-14-20(2,3)8-5-9-21(14,4)13-7-6-12-16-18(27-17(12)24)28-19(25)22(13,15)16/h12-16,18-19,25H,5-10H2,1-4H3/t12-,13-,14+,15-,16?,18?,19?,21-,22?/m1/s1
InChIKey SJUIUZNWNSLYJG-IUZUNESWSA-N
Molecular Weight 392.492 g/mol
SMILES OC1C23C4C(OC([C@]4([H])CC[C@@]3([C@]3(CCCC([C@@]3(C[C@]2(OC(=O)C)[H])[H])(C)C)C)[H])=O)O1
SPLASH splash10-052o-9430000000-6496e2a6c592b97fc709
Source of Spectrum B-39-1638-6
Wiley ID 1365841