| SpectraBase Compound ID | KKDEEoiQZWy |
|---|---|
| InChI | InChI=1S/C43H68O18/c1-38(2)11-13-42(36(55)61-35-31(53)29(51)27(49)22(17-45)59-35)14-12-40(4)19(25(42)32(38)54)7-8-23-39(3)15-20(47)33(60-34-30(52)28(50)26(48)21(16-44)58-34)43(18-46,37(56)57-6)24(39)9-10-41(23,40)5/h7,20-35,44-54H,8-18H2,1-6H3/t20-,21?,22?,23-,24+,25+,26?,27?,28?,29?,30?,31?,32+,33+,34?,35?,39+,40-,41+,42-,43-/m1/s1 |
| InChIKey | NJCLOBAJTXIAQG-MQUDTLKLSA-N |
| Mol Weight | 873.0 g/mol |
| Molecular Formula | C43H68O18 |
| Exact Mass | 872.440565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Xp4zjYUDZi |
|---|---|
| Name | Trachelosperoside-D-2-methylester |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C43H68O18 |
| InChI | InChI=1S/C43H68O18/c1-38(2)11-13-42(36(55)61-35-31(53)29(51)27(49)22(17-45)59-35)14-12-40(4)19(25(42)32(38)54)7-8-23-39(3)15-20(47)33(60-34-30(52)28(50)26(48)21(16-44)58-34)43(18-46,37(56)57-6)24(39)9-10-41(23,40)5/h7,20-35,44-54H,8-18H2,1-6H3/t20-,21?,22?,23-,24+,25+,26?,27?,28?,29?,30?,31?,32+,33+,34?,35?,39+,40-,41+,42-,43-/m1/s1 |
| InChIKey | NJCLOBAJTXIAQG-MQUDTLKLSA-N |
| Literature Reference | Chem. Pharm. Bull. 35, 1833 (1987). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |