| SpectraBase Compound ID | HWUE5n8f15r |
|---|---|
| InChI | InChI=1S/C39H61NO16/c1-5-6-10-24(3)37(56-36(50)20-27(39(53)54)18-34(47)48)32(55-35(49)19-26(38(51)52)17-33(45)46)16-23(2)15-28(41)11-7-8-12-29(42)21-31(44)25(4)40-14-9-13-30(43)22-40/h9,13-14,22-29,31-32,37,41-42,44H,5-8,10-12,15-21H2,1-4H3,(H4-,43,45,46,47,48,51,52,53,54)/p+1 |
| InChIKey | PUBXIIADYBXHSN-UHFFFAOYSA-O |
| Mol Weight | 800.9 g/mol |
| Molecular Formula | C39H62NO16 |
| Exact Mass | 800.40686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2xgiWDSDION |
|---|---|
| Name | FP1;BIS-(1,2,3-PROPANETRICARBOXYLIC-ACID)-1,1'-[1-(12-(3-HYDROXY-1-PYRIDINYL)-4,9,11-TRIHYDROXY-2-METHYLTRIDECYL)-2-(1-METHYLPENTYL)-1,2-ETHANE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H62NO16 |
| InChI | InChI=1S/C39H61NO16/c1-5-6-10-24(3)37(56-36(50)20-27(39(53)54)18-34(47)48)32(55-35(49)19-26(38(51)52)17-33(45)46)16-23(2)15-28(41)11-7-8-12-29(42)21-31(44)25(4)40-14-9-13-30(43)22-40/h9,13-14,22-29,31-32,37,41-42,44H,5-8,10-12,15-21H2,1-4H3,(H4-,43,45,46,47,48,51,52,53,54)/p+1 |
| InChIKey | PUBXIIADYBXHSN-UHFFFAOYSA-O |
| Literature Reference Author | S.M.MUSSER,M.L.GAY,E.P.MAZZOLA,R.D.PLATTNER |
| Literature Reference Citation | J.NAT.PROD.,59,970(1996) |
| Literature Reference DOI | 10.1021/np960349t |
| Molecular Weight | 800.918 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP752 |