| SpectraBase Compound ID | E91czJqZxqH |
|---|---|
| InChI | InChI=1S/C34H44O12/c1-16-11-24(41-6)28(38)31(43-16)46-23-13-20-7-8-22-27(32(20,4)14-25(23)44-17(2)35)29(39)30(45-18(3)36)33(5)21(9-10-34(22,33)40)19-12-26(37)42-15-19/h11-12,16,20-23,25,27,30-31,40H,7-10,13-15H2,1-6H3/t16?,20?,21?,22-,23?,25?,27+,30+,31?,32-,33+,34+/m0/s1 |
| InChIKey | KVZBFOSBZBGVFX-OOQRVIQBSA-N |
| Mol Weight | 644.7 g/mol |
| Molecular Formula | C34H44O12 |
| Exact Mass | 644.283277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KgheqRLGwA |
|---|---|
| Name | Affinoside-O-diacetate |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C34H44O12 |
| InChI | InChI=1S/C34H44O12/c1-16-11-24(41-6)28(38)31(43-16)46-23-13-20-7-8-22-27(32(20,4)14-25(23)44-17(2)35)29(39)30(45-18(3)36)33(5)21(9-10-34(22,33)40)19-12-26(37)42-15-19/h11-12,16,20-23,25,27,30-31,40H,7-10,13-15H2,1-6H3/t16?,20?,21?,22-,23?,25?,27+,30+,31?,32-,33+,34+/m0/s1 |
| InChIKey | KVZBFOSBZBGVFX-OOQRVIQBSA-N |
| Literature Reference | Chem. Pharm. Bull. 34, 2774 (1986). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |