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(1S,2R,4R,6R,8S,9S)4-Hydroxy-4-methoxycarbonyl-8,9-dimethoxy-8,9-dimethyl-7,10-dioxabicyclo[4.4.0]decane-2-dibenzoylphosphate

View entire compound with spectra: 1 MS (GC)

(1S,2R,4R,6R,8S,9S)4-Hydroxy-4-methoxycarbonyl-8,9-dimethoxy-8,9-dimethyl-7,10-dioxabicyclo[4.4.0]decane-2-dibenzoylphosphate
SpectraBase Compound ID JRYrVvXq9sb
InChI InChI=1S/C28H37O11P/c1-26(33-4)27(2,34-5)38-24-22(37-26)16-28(30,25(29)32-3)17-23(24)39-40(31,35-18-20-12-8-6-9-13-20)36-19-21-14-10-7-11-15-21/h6-15,22-24,30H,16-19H2,1-5H3/t22-,23-,24+,26+,27+,28-/m1/s1
InChIKey QQKWHTAJTCZYGB-OGGSFHMSSA-N
Mol Weight 580.6 g/mol
Molecular Formula C28H37O11P
Exact Mass 580.207349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1r2dggBSiGA
Name (1S,2R,4R,6R,8S,9S)4-Hydroxy-4-methoxycarbonyl-8,9-dimethoxy-8,9-dimethyl-7,10-dioxabicyclo[4.4.0]decane-2-dibenzoylphosphate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H37O11P
InChI InChI=1S/C28H37O11P/c1-26(33-4)27(2,34-5)38-24-22(37-26)16-28(30,25(29)32-3)17-23(24)39-40(31,35-18-20-12-8-6-9-13-20)36-19-21-14-10-7-11-15-21/h6-15,22-24,30H,16-19H2,1-5H3/t22-,23-,24+,26+,27+,28-/m1/s1
InChIKey QQKWHTAJTCZYGB-OGGSFHMSSA-N
Molecular Weight 580.567 g/mol
SMILES O[C@@]1(C[C@@]2([C@](O[C@@]([C@](O2)(OC)C)(OC)C)([C@@](C1)(OP(=O)(OCc1ccccc1)OCc1ccccc1)[H])[H])[H])C(=O)OC
SPLASH splash10-000t-0000090000-51d0e35b408eaf17ab48
Source of Spectrum AT-41-2959-7
Synonyms (2S,3S,4aR,6R,8R,8aS)-8-(Bis-benzyloxy-phosphoryloxy)-6-hydroxy-2,3-dimethoxy-2,3-dimethyl-octahydro-benzo[1,4]dioxine-6-carboxylic acid methyl ester
Wiley ID 854862