| SpectraBase Compound ID | DssbsVGrUBv |
|---|---|
| InChI | InChI=1S/C35H52O9/c1-19-15-27(38-6)30(36)32(41-19)44-23-9-12-33(4)22(16-23)7-8-24-25(33)10-13-34(5)26(24)11-14-35(34,37)21(3)43-29-17-28-31(20(2)42-29)40-18-39-28/h7,15,19-21,23-26,28-29,31-32,37H,8-14,16-18H2,1-6H3/t19?,20-,21?,23-,24+,25-,26-,28+,29+,31+,32?,33-,34-,35-/m0/s1 |
| InChIKey | UTONFINBGCJYNK-FUEXJGPOSA-N |
| Mol Weight | 616.8 g/mol |
| Molecular Formula | C35H52O9 |
| Exact Mass | 616.361133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 47oqJJZRXpy |
|---|---|
| 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-(3'',4''-METHYLENEDIOXY-BETA-D-CANAROPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H52O9 |
| InChI | InChI=1S/C35H52O9/c1-19-15-27(38-6)30(36)32(41-19)44-23-9-12-33(4)22(16-23)7-8-24-25(33)10-13-34(5)26(24)11-14-35(34,37)21(3)43-29-17-28-31(20(2)42-29)40-18-39-28/h7,15,19-21,23-26,28-29,31-32,37H,8-14,16-18H2,1-6H3/t19?,20-,21?,23-,24+,25-,26-,28+,29+,31+,32?,33-,34-,35-/m0/s1 |
| InChIKey | UTONFINBGCJYNK-FUEXJGPOSA-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 | 616.792 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK1242 |