| SpectraBase Compound ID | A3kB1I2MJfx |
|---|---|
| InChI | InChI=1S/C27H40O9/c1-13(29)16-6-9-27(34)20-17(5-8-26(16,27)3)25(2)7-4-15(10-14(25)11-18(20)30)35-24-23(33)22(32)21(31)19(12-28)36-24/h11,15-17,19-24,28,31-34H,4-10,12H2,1-3H3/t15-,16-,17?,19+,20?,21+,22-,23+,24+,25?,26?,27-/m0/s1 |
| InChIKey | MWLZFJFSSKREJN-TXSHQOSFSA-N |
| Mol Weight | 508.6 g/mol |
| Molecular Formula | C27H40O9 |
| Exact Mass | 508.267233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fvt83Kop8zv |
|---|---|
| Name | PREGN-5-ENE-3,14-BETA-DIHYDROXY-7,20-DIONE-3-O-BETA-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O9 |
| InChI | InChI=1S/C27H40O9/c1-13(29)16-6-9-27(34)20-17(5-8-26(16,27)3)25(2)7-4-15(10-14(25)11-18(20)30)35-24-23(33)22(32)21(31)19(12-28)36-24/h11,15-17,19-24,28,31-34H,4-10,12H2,1-3H3/t15-,16-,17?,19+,20?,21+,22-,23+,24+,25?,26?,27-/m0/s1 |
| InChIKey | MWLZFJFSSKREJN-TXSHQOSFSA-N |
| Literature Reference Author | M.S.KAMEL,K.OHTANI,H.A.HASANAIN,M.H.MOHAMED,R.KASAI,K.YAMASA KI |
| Literature Reference Citation | PHYTOCHEM.,53,937(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00447-1 |
| Molecular Weight | 508.609 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU2245 |