| SpectraBase Compound ID | 6qRkOp7OyXs |
|---|---|
| InChI | InChI=1S/C29H43NO6/c1-16(10-13-30)20-6-7-21-19-5-4-17-14-18(8-11-28(17,2)22(19)9-12-29(20,21)3)35-27-26(34)25(33)24(32)23(15-31)36-27/h4,10,18-27,31-34H,5-9,11-12,14-15H2,1-3H3/b16-10+/t18-,19?,20?,21?,22?,23-,24-,25+,26-,27-,28-,29+/m1/s1 |
| InChIKey | ODWPUIKMERZOCD-RMNPOSATSA-N |
| Mol Weight | 501.7 g/mol |
| Molecular Formula | C29H43NO6 |
| Exact Mass | 501.309038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L3H2jD2PrdF |
|---|---|
| Name | (20E)-22-CYANO-23,24-DINOR-5,20(22)-CHOLADIEN-3BETA-YL BETA-D-GLUCOPYRANOSIDE |
| Comments | C |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C29H43NO6 |
| InChI | InChI=1S/C29H43NO6/c1-16(10-13-30)20-6-7-21-19-5-4-17-14-18(8-11-28(17,2)22(19)9-12-29(20,21)3)35-27-26(34)25(33)24(32)23(15-31)36-27/h4,10,18-27,31-34H,5-9,11-12,14-15H2,1-3H3/b16-10+/t18-,19?,20?,21?,22?,23-,24-,25+,26-,27-,28-,29+/m1/s1 |
| InChIKey | ODWPUIKMERZOCD-RMNPOSATSA-N |
| Instrument Name | Varian XL-200 |
| Literature Reference | I.CERRNY, V.POUZAR, P.DRASAR, M.HAVAL (1987) Coll.Czech.Chem.Comm.: v.52, N10,2521-2533. |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 chloroform-d |