| SpectraBase Compound ID | 4FiA6LaahNR |
|---|---|
| InChI | InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)23-22(31-27)12-20-19-6-5-17-11-18(28)8-9-25(17,3)24(19)21(29)13-26(20,23)4/h15-20,22-24,28H,5-14H2,1-4H3/t15-,16-,17-,18-,19-,20-,22-,23-,24+,25-,26-,27+/m0/s1 |
| InChIKey | QVZULXNXCIFMTL-CAZWBHMKSA-N |
| Mol Weight | 430.6 g/mol |
| Molecular Formula | C27H42O4 |
| Exact Mass | 430.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DjNEwuuOFrl |
|---|---|
| Name | 11-KETOTIGOGENIN=(25R)-5-ALPHA-SPIROSTAN-3-BETA-OL-11-ON |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O4 |
| InChI | InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)23-22(31-27)12-20-19-6-5-17-11-18(28)8-9-25(17,3)24(19)21(29)13-26(20,23)4/h15-20,22-24,28H,5-14H2,1-4H3/t15-,16-,17-,18-,19-,20-,22-,23-,24+,25-,26-,27+/m0/s1 |
| InChIKey | QVZULXNXCIFMTL-CAZWBHMKSA-N |
| Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,R.K.GUPTA,R.S.THAKUR |
| Literature Reference Citation | PHYTOCHEM.,24,2479(1985) |
| Literature Reference DOI | 10.1016/S0031-9422(00)80653-6 |
| Molecular Weight | 430.628 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW17157 |