| SpectraBase Compound ID | 4l9sECs3TsX |
|---|---|
| InChI | InChI=1S/C34H52O9/c1-18-15-27(39-6)30(37)31(40-18)43-22-9-12-32(4)21(16-22)7-8-23-24(32)10-13-33(5)25(23)11-14-34(33,38)20(3)42-28-17-26(35)29(36)19(2)41-28/h7,15,18-20,22-26,28-29,31,35-36,38H,8-14,16-17H2,1-6H3/t18?,19-,20?,22-,23+,24-,25-,26+,28+,29+,31?,32-,33-,34-/m0/s1 |
| InChIKey | CGUNKFNCRCGQRL-HFSADTQHSA-N |
| Mol Weight | 604.8 g/mol |
| Molecular Formula | C34H52O9 |
| Exact Mass | 604.361133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FHvlOns9u0P |
|---|---|
| Name | DELTA(5)-PREGNENE-3-BETA,17-ALPHA,20(S)-TRIOL-3-O-(4',6'-DIDEOXY-3'-O-METHYL-DELTA(3')-D-2'-HEXOSULOSIDE)-20-O-BETA-D-CANAROPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H52O9 |
| InChI | InChI=1S/C34H52O9/c1-18-15-27(39-6)30(37)31(40-18)43-22-9-12-32(4)21(16-22)7-8-23-24(32)10-13-33(5)25(23)11-14-34(33,38)20(3)42-28-17-26(35)29(36)19(2)41-28/h7,15,18-20,22-26,28-29,31,35-36,38H,8-14,16-17H2,1-6H3/t18?,19-,20?,22-,23+,24-,25-,26+,28+,29+,31?,32-,33-,34-/m0/s1 |
| InChIKey | CGUNKFNCRCGQRL-HFSADTQHSA-N |
| Literature Reference Author | H.ITOKAWA,J.XU,K.TAKEYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,36,2084(1988) |
| Literature Reference DOI | 10.1248/cpb.36.2084 |
| Molecular Weight | 604.781 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK1238 |