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(6S,8R)-6-(hydroxymethyl)-8-(3,4,5-trimethoxyphenyl)-N-(triphenylmethyl)-6,8-dihydro-[1,3]dioxolo[4,5-g][1,3]benzothiazine-7-carboxamide

View entire compound with spectra: 1 MS (GC)

(6S,8R)-6-(hydroxymethyl)-8-(3,4,5-trimethoxyphenyl)-N-(triphenylmethyl)-6,8-dihydro-[1,3]dioxolo[4,5-g][1,3]benzothiazine-7-carboxamide
SpectraBase Compound ID Cj2cHZP1LmQ
InChI InChI=1S/C39H36N2O7S/c1-44-32-19-25(20-33(45-2)37(32)46-3)36-29-21-30-31(48-24-47-30)22-34(29)49-35(23-42)41(36)38(43)40-39(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-22,35-36,42H,23-24H2,1-3H3,(H,40,43)/t35-,36+/m0/s1
InChIKey HOVBAACVYWOKGN-MPQUPPDSSA-N
Mol Weight 676.8 g/mol
Molecular Formula C39H36N2O7S
Exact Mass 676.224323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LcN6CDFZctS
Name (6S,8R)-6-(hydroxymethyl)-8-(3,4,5-trimethoxyphenyl)-N-(triphenylmethyl)-6,8-dihydro-[1,3]dioxolo[4,5-g][1,3]benzothiazine-7-carboxamide
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Formula C39H36N2O7S
InChI InChI=1S/C39H36N2O7S/c1-44-32-19-25(20-33(45-2)37(32)46-3)36-29-21-30-31(48-24-47-30)22-34(29)49-35(23-42)41(36)38(43)40-39(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-22,35-36,42H,23-24H2,1-3H3,(H,40,43)/t35-,36+/m0/s1
InChIKey HOVBAACVYWOKGN-MPQUPPDSSA-N
Molecular Weight 676.784 g/mol
SMILES N(C(N1[C@](CO)(Sc2cc3OCOc3cc2[C@]1(c1cc(OC)c(c(c1)OC)OC)[H])[H])=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-0udi-0059320000-75bcd1a7b7322add8209
Source of Spectrum KC-0-1387-16
Synonyms (6S,8R)-6-(hydroxymethyl)-8-(3,4,5-trimethoxyphenyl)-N-trityl-6,8-dihydro-[1,3]dioxolo[4,5-g][1,3]benzothiazine-7-carboxamide (6S,8R)-6-methylol-8-(3,4,5-trimethoxyphenyl)-N-trityl-6,8-dihydro-[1,3]dioxolo[4,5-g][1,3]benzothiazine-7-carboxamide
Wiley ID 783799