![3-[CARBOXY-2-(1,2-DIHEXADECANOYL-SN-GLYCERO-3-PHOSPHO)-ETHANOLAMIDO]-PROPYL-ALPHA-D-MANNOPYRANOSIDE-SODIUM-SALT](/api/spectrum/5D8i6MXoOGY/structure.png?h=300&w=458 "3-[CARBOXY-2-(1,2-DIHEXADECANOYL-SN-GLYCERO-3-PHOSPHO)-ETHANOLAMIDO]-PROPYL-ALPHA-D-MANNOPYRANOSIDE-SODIUM-SALT")
| SpectraBase Compound ID | 8oYSCUbOe2Z |
|---|---|
| InChI | InChI=1S/2C47H90NO15P.2Na/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-42(51)59-37-39(62-43(52)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-61-64(56,57)60-35-33-48-41(50)30-29-34-58-47-46(55)45(54)44(53)40(36-49)63-47;;/h2*39-40,44-47,49,53-55H,3-38H2,1-2H3,(H,48,50)(H,56,57);;/q;;2*+1/p-2/t2*39?,40-,44-,45+,46+,47+;;/m00../s1 |
| InChIKey | JPTFWYBLZHSGTD-STZQXRNZSA-L |
| Mol Weight | 1924.4 g/mol |
| Molecular Formula | C94H178N2Na2O30P2 |
| Exact Mass | 1923.173505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5D8i6MXoOGY |
|---|---|
| Name | 3-[CARBOXY-2-(1,2-DIHEXADECANOYL-SN-GLYCERO-3-PHOSPHO)-ETHANOLAMIDO]-PROPYL-ALPHA-D-MANNOPYRANOSIDE-SODIUM-SALT |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C94H178N2Na2O30P2 |
| InChI | InChI=1S/2C47H90NO15P.2Na/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-42(51)59-37-39(62-43(52)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-61-64(56,57)60-35-33-48-41(50)30-29-34-58-47-46(55)45(54)44(53)40(36-49)63-47;;/h2*39-40,44-47,49,53-55H,3-38H2,1-2H3,(H,48,50)(H,56,57);;/q;;2*+1/p-2/t2*39?,40-,44-,45+,46+,47+;;/m00../s1 |
| InChIKey | JPTFWYBLZHSGTD-STZQXRNZSA-L |
| Literature Reference Author | R.H.FURNEAUX,Z.PAKULSKI,P.C.TYLER |
| Literature Reference Citation | CAN.J.CHEM.,80,964(2002) |
| Literature Reference DOI | 10.1139/v02-120 |
| Molecular Weight | 1924.370 g/mol |
| Solvent | CDCl3:CD3OD=3:1 |
| Source File Reference | UWVN27343 |