| SpectraBase Compound ID | JH6TFnh1Od5 |
|---|---|
| InChI | InChI=1S/C35H54O14/c1-15(21-12-22(39)25-19-6-5-17-11-18(38)7-9-34(17,3)20(19)8-10-35(21,25)4)46-32-30(44)28(42)31(24(48-32)14-45-16(2)37)49-33-29(43)27(41)26(40)23(13-36)47-33/h11,15,19-33,36,39-44H,5-10,12-14H2,1-4H3/t15-,19+,20-,21+,22-,23+,24-,25+,26+,27-,28-,29+,30-,31-,32-,33-,34-,35+/m0/s1 |
| InChIKey | UXRVDKWULKVYPG-MTKCCDKLSA-N |
| Mol Weight | 698.8 g/mol |
| Molecular Formula | C35H54O14 |
| Exact Mass | 698.351356 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 | 1z3stycOI03 |
|---|---|
| Name | (15-ALPHA,20R)-DIHYDROXY-PREGN-4-EN-3-ONE-6'-O-ACETYL-20-BETA-CELLOBIOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H54O14 |
| InChI | InChI=1S/C35H54O14/c1-15(21-12-22(39)25-19-6-5-17-11-18(38)7-9-34(17,3)20(19)8-10-35(21,25)4)46-32-30(44)28(42)31(24(48-32)14-45-16(2)37)49-33-29(43)27(41)26(40)23(13-36)47-33/h11,15,19-33,36,39-44H,5-10,12-14H2,1-4H3/t15-,19+,20-,21+,22-,23+,24-,25+,26+,27-,28-,29+,30-,31-,32-,33-,34-,35+/m0/s1 |
| InChIKey | UXRVDKWULKVYPG-MTKCCDKLSA-N |
| Literature Reference Author | A.NAGATSU,H.L.ZHANG,T.WATANABE,N.TANIGUCHI,K.HATANO,H.MIZUKA MI,J.SAKAKIBARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1044(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1044 |
| Molecular Weight | 698.805 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS6545 |