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VATALBINOSIDE_A;(-)-HOPEAPHENOL_13B-O-BETA-GLUCOPYRANOSIDE-{[1-R,6-S,7-R,11B-R)-1,6,7,11B-TETRAHYDRO-1,7-BIS-(4-HYDROXYPHENYL)-4-

View entire compound with spectra: 1 NMR

VATALBINOSIDE_A;(-)-HOPEAPHENOL_13B-O-BETA-GLUCOPYRANOSIDE-{[1-R,6-S,7-R,11B-R)-1,6,7,11B-TETRAHYDRO-1,7-BIS-(4-HYDROXYPHENYL)-4-
SpectraBase Compound ID L84AIbi20fZ
InChI InChI=1S/C62H52O17/c63-25-46-57(73)58(74)59(75)62(79-46)76-37-23-41-52-45(24-37)78-61(29-7-15-33(67)16-8-29)56(52)39-18-35(69)21-43(72)50(39)48(27-3-11-31(65)12-4-27)54(41)53-40-19-36(70)22-44-51(40)55(60(77-44)28-5-13-32(66)14-6-28)38-17-34(68)20-42(71)49(38)47(53)26-1-9-30(64)10-2-26/h1-24,46-48,53-75H,25H2/t46-,47+,48+,53+,54+,55+,56+,57-,58+,59-,60-,61-,62-/m0/s1
InChIKey LUHKEQAQZMTBRZ-NQVVDWBGSA-N
Mol Weight 1069.1 g/mol
Molecular Formula C62H52O17
Exact Mass 1068.32045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CRjdXpJpUmR
Name VATALBINOSIDE_A;(-)-HOPEAPHENOL_13B-O-BETA-GLUCOPYRANOSIDE-{[1-R,6-S,7-R,11B-R)-1,6,7,11B-TETRAHYDRO-1,7-BIS-(4-HYDROXYPHENYL)-4-
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H52O17
InChI InChI=1S/C62H52O17/c63-25-46-57(73)58(74)59(75)62(79-46)76-37-23-41-52-45(24-37)78-61(29-7-15-33(67)16-8-29)56(52)39-18-35(69)21-43(72)50(39)48(27-3-11-31(65)12-4-27)54(41)53-40-19-36(70)22-44-51(40)55(60(77-44)28-5-13-32(66)14-6-28)38-17-34(68)20-42(71)49(38)47(53)26-1-9-30(64)10-2-26/h1-24,46-48,53-75H,25H2/t46-,47+,48+,53+,54+,55+,56+,57-,58+,59-,60-,61-,62-/m0/s1
InChIKey LUHKEQAQZMTBRZ-NQVVDWBGSA-N
Literature Reference Author N.ABE,T.ITO,K.OHGUCHI,M.NASU,Y.MASUDA,M.OYAMA,Y.NOZAWA,M.ITO ,M.IINUMA
Literature Reference Citation J.NAT.PROD.,73,1499(2010)
Literature Reference DOI 10.1021/np1002675
Molecular Weight 1069.085 g/mol
Sample ID 36302
Solvent ACETONE-D6