| SpectraBase Compound ID | Cl9m3VdcPps |
|---|---|
| InChI | InChI=1S/C36H62O8/c1-24(2)13-9-15-26(5)17-11-21-35(7,41)29(43-34-33(40)32(39)31(38)28(23-37)42-34)19-20-30-36(8,44-30)22-12-18-27(6)16-10-14-25(3)4/h13-14,17-18,28-34,37-41H,9-12,15-16,19-23H2,1-8H3/b26-17+,27-18+/t28-,29?,30?,31-,32+,33+,34+,35?,36?/m1/s1 |
| InChIKey | QBDCMLASZXKWQJ-NUMZQHTLSA-N |
| Mol Weight | 622.9 g/mol |
| Molecular Formula | C36H62O8 |
| Exact Mass | 622.444469 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IRo92jLHQf3 |
|---|---|
| Name | 14,15-IRPEXANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H62O8 |
| InChI | InChI=1S/C36H62O8/c1-24(2)13-9-15-26(5)17-11-21-35(7,41)29(43-34-33(40)32(39)31(38)28(23-37)42-34)19-20-30-36(8,44-30)22-12-18-27(6)16-10-14-25(3)4/h13-14,17-18,28-34,37-41H,9-12,15-16,19-23H2,1-8H3/b26-17+,27-18+/t28-,29?,30?,31-,32+,33+,34+,35?,36?/m1/s1 |
| InChIKey | QBDCMLASZXKWQJ-NUMZQHTLSA-N |
| Literature Reference Author | S.SILBERBORTH,G.ERKEL,T.ANKE,O.STERNER |
| Literature Reference Citation | J.ANTIBIOTICS,53,1137(2000) |
| Literature Reference DOI | 10.7164/antibiotics.53.1137 |
| Molecular Weight | 622.883 g/mol |
| Solvent | CDCl3 |