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7-[(Acetyloxy)methyl]-1-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl benzoate
SpectraBase Compound ID CRaigToSBUK
InChI InChI=1S/C32H36O15/c1-16(33)40-14-22-13-24(45-30(38)21-9-7-6-8-10-21)23-11-12-39-31(26(22)23)47-32-29(44-20(5)37)28(43-19(4)36)27(42-18(3)35)25(46-32)15-41-17(2)34/h6-13,23-29,31-32H,14-15H2,1-5H3/t23?,24?,25-,26?,27-,28+,29-,31?,32+/m0/s1
InChIKey IEAFYUQEHWXJEZ-HVGMLSJESA-N
Mol Weight 660.6 g/mol
Molecular Formula C32H36O15
Exact Mass 660.20542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bmUIFmui3A
Name 7-[(Acetyloxy)methyl]-1-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H36O15
InChI InChI=1S/C32H36O15/c1-16(33)40-14-22-13-24(45-30(38)21-9-7-6-8-10-21)23-11-12-39-31(26(22)23)47-32-29(44-20(5)37)28(43-19(4)36)27(42-18(3)35)25(46-32)15-41-17(2)34/h6-13,23-29,31-32H,14-15H2,1-5H3/t23?,24?,25-,26?,27-,28+,29-,31?,32+/m0/s1
InChIKey IEAFYUQEHWXJEZ-HVGMLSJESA-N
Molecular Weight 660.625 g/mol
SMILES C(=O)(O[C@]1([C@@]([C@]([C@@](O[C@@]1(OC1OC=CC2C(C=C(C12)COC(=O)C)OC(=O)c1ccccc1)[H])(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])C
SPLASH splash10-05o3-3912000000-787e631a9fd89ee36394
Synonyms benzoic acid [7-(acetyloxymethyl)-1-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl] ester [7-(acetoxymethyl)-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl] benzoate [7-(acetyloxymethyl)-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl] benzoate
Wiley ID 1485395