| SpectraBase Compound ID | A1dlk5lCktm |
|---|---|
| InChI | InChI=1S/C67H66O31P2.2C6H15N/c1-38(69)85-51-48(89-65(82-4)56(87-40(3)71)53(51)86-39(2)70)36-83-100(80,81)98-67-58(96-64(77)46-33-21-10-22-34-46)55(94-62(75)44-29-17-8-18-30-44)52(92-60(73)42-25-13-6-14-26-42)49(90-67)37-84-99(78,79)97-66-57(95-63(76)45-31-19-9-20-32-45)54(93-61(74)43-27-15-7-16-28-43)50(47(35-68)88-66)91-59(72)41-23-11-5-12-24-41;2*1-4-7(5-2)6-3/h5-34,47-58,65-68H,35-37H2,1-4H3,(H,78,79)(H,80,81);2*4-6H2,1-3H3/t47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,58+,65+,66-,67-;;/m1../s1 |
| InChIKey | NNVOFSOOCTYLCE-SYKXBCJCSA-N |
| Mol Weight | 1631.57 g/mol |
| Molecular Formula | C79H96N2O31P2 |
| Exact Mass | 1630.547228 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8VW7lFnRAUd |
|---|---|
| Name | METHYL-2,3,4-TRI-O-ACETYL-6-[2,3,4-TRI-O-BENZOYL-6-(2,3,4-TRI-O-BENZOYL-ALPHA-D-MANNOPYRANOSYLPHOSPHO)-ALPHA-D-MANNOPYRANOSYLPHOSPHO]-ALPHA-D-MANNOPYRANOSIDE, BIS(TRIETHYLAMMONIUM) SALT |
| Comments | 36 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C79H96N2O31P2 |
| InChI | InChI=1S/C67H66O31P2.2C6H15N/c1-38(69)85-51-48(89-65(82-4)56(87-40(3)71)53(51)86-39(2)70)36-83-100(80,81)98-67-58(96-64(77)46-33-21-10-22-34-46)55(94-62(75)44-29-17-8-18-30-44)52(92-60(73)42-25-13-6-14-26-42)49(90-67)37-84-99(78,79)97-66-57(95-63(76)45-31-19-9-20-32-45)54(93-61(74)43-27-15-7-16-28-43)50(47(35-68)88-66)91-59(72)41-23-11-5-12-24-41;2*1-4-7(5-2)6-3/h5-34,47-58,65-68H,35-37H2,1-4H3,(H,78,79)(H,80,81);2*4-6H2,1-3H3/t47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,58+,65+,66-,67-;;/m1../s1 |
| InChIKey | NNVOFSOOCTYLCE-SYKXBCJCSA-N |
| Instrument Name | SEE COMMENT |
| Literature Reference | A.V.NIKOLAEV, I.A.IVANOVA, V.N.SHIBAEV (1992) Bioorganich.Khim.(Russ. Lang.):v.18, N5, 689-698. |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 chloroform-d |