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Heptaacetyl-versicoside

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Heptaacetyl-versicoside
SpectraBase Compound ID 9OVSL514SN6
InChI InChI=1S/C46H56O22/c1-20-37(61-22(3)48)41(63-24(5)50)43(65-26(7)52)45(59-20)58-19-36-40(62-23(4)49)42(64-25(6)51)44(66-27(8)53)46(68-36)67-33-14-12-29(16-35(33)55-10)39-31-18-56-38(30(31)17-57-39)28-11-13-32(60-21(2)47)34(15-28)54-9/h11-16,20,30-31,36-46H,17-19H2,1-10H3
InChIKey OFGWLNQGRQMHJG-UHFFFAOYSA-N
Mol Weight 960.9 g/mol
Molecular Formula C46H56O22
Exact Mass 960.326323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CEfMyHMIMuI
Name Heptaacetyl-versicoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 960.326323421 u
Formula C46H56O22
InChI InChI=1S/C46H56O22/c1-20-37(61-22(3)48)41(63-24(5)50)43(65-26(7)52)45(59-20)58-19-36-40(62-23(4)49)42(64-25(6)51)44(66-27(8)53)46(68-36)67-33-14-12-29(16-35(33)55-10)39-31-18-56-38(30(31)17-57-39)28-11-13-32(60-21(2)47)34(15-28)54-9/h11-16,20,30-31,36-46H,17-19H2,1-10H3
InChIKey OFGWLNQGRQMHJG-UHFFFAOYSA-N
Molecular Weight 960.932 g/mol
SMILES C1(C(C(OC(=O)C)C(OC1OC=1C(=CC(C2C3C(C(C=4C=C(OC)C(=CC4)OC(=O)C)OC3)CO2)=CC1)OC)COC1C(C(OC(=O)C)C(C(O1)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C