| SpectraBase Compound ID | 1Z1Oa9cMZCT |
|---|---|
| InChI | InChI=1S/C54H46O22P2.2C6H15N/c55-47(33-19-7-1-8-20-33)69-41-39-31-65-77(61,62)76-54-46(74-52(60)38-29-17-6-18-30-38)44(72-50(58)36-25-13-4-14-26-36)42(70-48(56)34-21-9-2-10-22-34)40(68-54)32-66-78(63,64)75-53(67-39)45(73-51(59)37-27-15-5-16-28-37)43(41)71-49(57)35-23-11-3-12-24-35;2*1-4-7(5-2)6-3/h1-30,39-46,53-54H,31-32H2,(H,61,62)(H,63,64);2*4-6H2,1-3H3/t39-,40-,41-,42-,43+,44+,45+,46+,53-,54-;;/m1../s1 |
| InChIKey | SNDZAIFPZSAZIQ-YSQSHNEPSA-N |
| Mol Weight | 1311.27 g/mol |
| Molecular Formula | C66H76N2O22P2 |
| Exact Mass | 1310.436496 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JIlzCn304mL |
|---|---|
| Name | CYCLO-(1-6)-DI(2,3,4-TRI-O-BENZOYL-ALPHA-D-MANNOPYRANOSYLPHOSPHATE),BIS(TRIETHYLAMMONIUM) SALT |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C66H76N2O22P2 |
| InChI | InChI=1S/C54H46O22P2.2C6H15N/c55-47(33-19-7-1-8-20-33)69-41-39-31-65-77(61,62)76-54-46(74-52(60)38-29-17-6-18-30-38)44(72-50(58)36-25-13-4-14-26-36)42(70-48(56)34-21-9-2-10-22-34)40(68-54)32-66-78(63,64)75-53(67-39)45(73-51(59)37-27-15-5-16-28-37)43(41)71-49(57)35-23-11-3-12-24-35;2*1-4-7(5-2)6-3/h1-30,39-46,53-54H,31-32H2,(H,61,62)(H,63,64);2*4-6H2,1-3H3/t39-,40-,41-,42-,43+,44+,45+,46+,53-,54-;;/m1../s1 |
| InChIKey | SNDZAIFPZSAZIQ-YSQSHNEPSA-N |
| Instrument Name | Bruker WH-90 |
| Literature Reference | A.V.NIKOLAEV, N.S.UTKINA, V.N.SHIBAEV, A.V.IGNATENKO, B.V.ROZYNOV (1992)Bioorganich.Khim.(Russ. Lang.): v.18, N2, 272-282. |
| NMR Standard | not reported |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 chloroform-d |