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METHYL 4-O-BENZYL-2-O-[4-O-BENZYL-3-O-(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-ALPHA-L-RHAMNOPYRANOSYL]-ALPHA-L-RHAMNOPYRANOSIDE
SpectraBase Compound ID BULStpXocGG
InChI InChI=1S/C61H70O14/c1-41-52(66-35-44-24-12-5-13-25-44)50(62)56(60(64-3)72-41)75-59-51(63)55(53(42(2)71-59)67-36-45-26-14-6-15-27-45)74-61-58(70-39-48-32-20-9-21-33-48)57(69-38-47-30-18-8-19-31-47)54(68-37-46-28-16-7-17-29-46)49(73-61)40-65-34-43-22-10-4-11-23-43/h4-33,41-42,49-63H,34-40H2,1-3H3/t41-,42-,49+,50+,51+,52-,53-,54+,55-,56+,57-,58+,59-,60+,61-/m0/s1
InChIKey DENIVPADHFGNQS-WQSVWWAGSA-N
Mol Weight 1027.2 g/mol
Molecular Formula C61H70O14
Exact Mass 1026.476557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AaCK6oBctIp
Name METHYL 4-O-BENZYL-2-O-[4-O-BENZYL-3-O-(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-ALPHA-L-RHAMNOPYRANOSYL]-ALPHA-L-RHAMNOPYRANOSIDE
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Formula C61H70O14
InChI InChI=1S/C61H70O14/c1-41-52(66-35-44-24-12-5-13-25-44)50(62)56(60(64-3)72-41)75-59-51(63)55(53(42(2)71-59)67-36-45-26-14-6-15-27-45)74-61-58(70-39-48-32-20-9-21-33-48)57(69-38-47-30-18-8-19-31-47)54(68-37-46-28-16-7-17-29-46)49(73-61)40-65-34-43-22-10-4-11-23-43/h4-33,41-42,49-63H,34-40H2,1-3H3/t41-,42-,49+,50+,51+,52-,53-,54+,55-,56+,57-,58+,59-,60+,61-/m0/s1
InChIKey DENIVPADHFGNQS-WQSVWWAGSA-N
Instrument Name Bruker WM-250
Literature Reference L.V.BAKINOVSKY, A.R.GOMTSYAN, N.E.BAIRAMOVA, N.K.KOCHETKOV (1985)Bioorganich.Khim.(Russ. Lang.): v.11, N2, 254-263.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3