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Egonol hepta-O-methylgentiobioside

View entire compound with spectra: 2 MS (GC)

Egonol hepta-O-methylgentiobioside
SpectraBase Compound ID DWqJmUBfGCA
InChI InChI=1S/C38H52O15/c1-39-18-28-31(41-3)33(43-5)36(46-8)38(52-28)48-19-29-32(42-4)34(44-6)35(45-7)37(53-29)47-13-9-10-21-14-23-17-25(51-30(23)27(15-21)40-2)22-11-12-24-26(16-22)50-20-49-24/h11-12,14-17,28-29,31-38H,9-10,13,18-20H2,1-8H3/t28-,29-,31-,32-,33+,34+,35-,36-,37-,38-/m1/s1
InChIKey LLIQYUHFTXDZEV-JSLOUBDSSA-N
Mol Weight 748.8 g/mol
Molecular Formula C38H52O15
Exact Mass 748.330621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tG9Ffgbqcr
Name Egonol hepta-O-methylgentiobioside
Alternate Name(s) 3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl 2,3,4-tri-O-methyl-6-O-(2,3,4,6-tetra-O-methylhexopyranosyl)hexopyranoside
CAS Registry Number 77690-85-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H52O15
InChI InChI=1S/C38H52O15/c1-39-18-28-31(41-3)33(43-5)36(46-8)38(52-28)48-19-29-32(42-4)34(44-6)35(45-7)37(53-29)47-13-9-10-21-14-23-17-25(51-30(23)27(15-21)40-2)22-11-12-24-26(16-22)50-20-49-24/h11-12,14-17,28-29,31-38H,9-10,13,18-20H2,1-8H3/t28-,29-,31-,32-,33+,34+,35-,36-,37-,38-/m1/s1
InChIKey LLIQYUHFTXDZEV-JSLOUBDSSA-N
Molecular Weight 748.819 g/mol
SMILES c1(oc2c(c1)cc(cc2OC)CCCO[C@]1([C@@]([C@@](OC)([C@@]([C@](O1)(CO[C@]1([C@@]([C@@](OC)([C@@]([C@](O1)(COC)[H])(OC)[H])[H])(OC)[H])[H])[H])(OC)[H])[H])(OC)[H])[H])-c1cc2OCOc2cc1
SPLASH splash10-0gx1-0049000500-e00f328c5d1d1a3f2f29
Source of Spectrum W5-1989-24814-1
Wiley ID 1416286