| SpectraBase Compound ID | DaVUQ6AYk3x |
|---|---|
| InChI | InChI=1S/C35H46O9/c1-6-22(2)29(38)43-23(3)33(40)18-19-35(42)31(33,5)27(44-28(37)13-12-24-10-8-7-9-11-24)20-26-30(4)15-14-25(36)21-32(30,39)16-17-34(26,35)41/h6-13,16-17,23,25-27,36,39-42H,14-15,18-21H2,1-5H3/b13-12+,22-6+/t23-,25+,26-,27-,30-,31-,32+,33-,34+,35-/m1/s1 |
| InChIKey | MPSUNEYIVKMSKH-DHQHPCACSA-N |
| Mol Weight | 610.7 g/mol |
| Molecular Formula | C35H46O9 |
| Exact Mass | 610.314183 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EAqdCVZaXQ1 |
|---|---|
| Name | 12-O-CINNAMOYL-20-O-(E)-2-METHYL-2-BUTENOYL-(20-S)-PREGN-6-ENE-3-BETA,5-ALPHA,8-BETA,12-BETA,14-BETA,17-BETA,20-HEPTAOL |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H46O9 |
| InChI | InChI=1S/C35H46O9/c1-6-22(2)29(38)43-23(3)33(40)18-19-35(42)31(33,5)27(44-28(37)13-12-24-10-8-7-9-11-24)20-26-30(4)15-14-25(36)21-32(30,39)16-17-34(26,35)41/h6-13,16-17,23,25-27,36,39-42H,14-15,18-21H2,1-5H3/b13-12+,22-6+/t23-,25+,26-,27-,30-,31-,32+,33-,34+,35-/m1/s1 |
| InChIKey | MPSUNEYIVKMSKH-DHQHPCACSA-N |
| Literature Reference Author | K.YOSHIKAWA,N.OKADA,Y.KAN,S.ARIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,44,2243(1996) |
| Literature Reference DOI | 10.1248/cpb.44.2243 |
| Molecular Weight | 610.745 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ17371 |