| SpectraBase Compound ID | GVJLjnouOiR |
|---|---|
| InChI | InChI=1S/C27H38O7/c1-6-18-7-8-21-24-23(34-17(4)30)12-19-11-20(33-16(3)29)9-10-27(19,14-32-15(2)28)25(24)22(31)13-26(18,21)5/h6,12,18,20-25,31H,1,7-11,13-14H2,2-5H3/t18-,20+,21?,22+,23+,24?,25?,26+,27+/m0/s1 |
| InChIKey | YQQORHBTXYLWQF-XLGSEZHDSA-N |
| Mol Weight | 474.6 g/mol |
| Molecular Formula | C27H38O7 |
| Exact Mass | 474.261754 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KoYQOAAVqww |
|---|---|
| Name | PREGNA-5,20-DIENE-3-ALPHA,7-ALPHA,11-ALPHA,19-TETROL-3-ALPHA,7-ALPHA,19-TRIACETATE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H38O7 |
| InChI | InChI=1S/C27H38O7/c1-6-18-7-8-21-24-23(34-17(4)30)12-19-11-20(33-16(3)29)9-10-27(19,14-32-15(2)28)25(24)22(31)13-26(18,21)5/h6,12,18,20-25,31H,1,7-11,13-14H2,2-5H3/t18-,20+,21?,22+,23+,24?,25?,26+,27+/m0/s1 |
| InChIKey | YQQORHBTXYLWQF-XLGSEZHDSA-N |
| Literature Reference Author | D.R.BEUKES,M.T.DAVIES-COLEMAN,D.S.EGGLESTON,R.C.HALTIWANGER, B.TOMKOWICZ |
| Literature Reference Citation | J.NAT.PROD.,60,573(1997) |
| Literature Reference DOI | 10.1021/np960684h |
| Molecular Weight | 474.595 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGS113 |