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APLYROSEOL-1;(5R*,7S*,8R*,9S*,10R*,13S*,14S*,15S*)-15,17-EPOXY-17-HYDROXY-16-OXO-SPONGIAN-7-YL-BUTYRATE
SpectraBase Compound ID 53iWVv5WHGP
InChI InChI=1S/C24H36O6/c1-5-7-17(25)28-16-12-15-22(2,3)10-6-11-23(15,4)14-9-8-13-18-20(29-19(13)26)30-21(27)24(14,16)18/h13-16,18,20-21,27H,5-12H2,1-4H3/t13-,14-,15+,16-,18+,20+,21?,23-,24-/m1/s1
InChIKey VDGDSNQYFYXHGB-MRLZXKRWSA-N
Mol Weight 420.5 g/mol
Molecular Formula C24H36O6
Exact Mass 420.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5m0JKjuOivq
Name (5R*,7S*,8R*,9S*,10R*,13S*,14S*,15S*)-15,17-epoxy-17-hydroxy-16-oxospongian-7-yl butanoate
Alternate Name(s) (3R,3aR,3bS,4R,5aS,9aS,9bR,11aR)-3b-formyl-3-hydroxy-6,6,9a-trimethyl-1-oxohexadecahydrophenanthro[1,2-c]furan-4-yl butyrate 18-Nor-16-oxaandrostane-8-carboxaldehyde, 15-hydroxy-4,4-dimethyl-17-oxo-7-(1-oxobutoxy)-, cyclic 8,15-hemiacetal, [5.alpha.,7.alpha.,8(R),13.alpha.,15.beta.]- 2H,10H-Furo[2,3,4-cd]naphth[2,1-e]isobenzofuran, 18-nor-16-oxaandrostane-8-carboxaldehyde deriv. 16.alpha.,17.beta.-dihydroxy-15,17-oxidospongian-16-one 6-butyrate Aplyroseol 1
CAS Registry Number 97042-20-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O6
InChI InChI=1S/C24H36O6/c1-5-7-17(25)28-16-12-15-22(2,3)10-6-11-23(15,4)14-9-8-13-18-20(29-19(13)26)30-21(27)24(14,16)18/h13-16,18,20-21,27H,5-12H2,1-4H3/t13-,14-,15+,16-,18+,20+,21?,23-,24-/m1/s1
InChIKey VDGDSNQYFYXHGB-MRLZXKRWSA-N
Molecular Weight 420.546 g/mol
SMILES OC1[C@@]23[C@@]4([C@](OC([C@]4([H])CC[C@@]3([C@]3(CCCC([C@@]3(C[C@]2(OC(=O)CCC)[H])[H])(C)C)C)[H])=O)([H])O1)[H]
SPLASH splash10-000i-0090000000-d598254702243e3c583c
Source of Spectrum J-52-3772-2
Wiley ID 1378014