| SpectraBase Compound ID | 2aQdO1E2llJ |
|---|---|
| InChI | InChI=1S/C27H48O4/c1-16(2)6-5-7-17(15-28)19-10-11-20-18-8-9-21-25(31)22(29)12-13-26(21,3)24(18)23(30)14-27(19,20)4/h16-25,28-31H,5-15H2,1-4H3/t17-,18-,19+,20-,21+,22+,23-,24+,25-,26-,27+/m0/s1 |
| InChIKey | ZLSJZDZXEWFTJS-IZSJLISRSA-N |
| Mol Weight | 436.7 g/mol |
| Molecular Formula | C27H48O4 |
| Exact Mass | 436.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESIc0XRX7SL |
|---|---|
| Name | 5-BETA-CHOLESTANE-3-ALPHA,4-ALPHA,11-BETA,21-TETROL |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H48O4 |
| InChI | InChI=1S/C27H48O4/c1-16(2)6-5-7-17(15-28)19-10-11-20-18-8-9-21-25(31)22(29)12-13-26(21,3)24(18)23(30)14-27(19,20)4/h16-25,28-31H,5-15H2,1-4H3/t17-,18-,19+,20-,21+,22+,23-,24+,25-,26-,27+/m0/s1 |
| InChIKey | ZLSJZDZXEWFTJS-IZSJLISRSA-N |
| Literature Reference Author | A.J.ROCCATAGIATA,M.S.MAIER,A.M.SELDES,C.A.PUJOL,E.B.DAMONTE |
| Literature Reference Citation | J.NAT.PROD.,59,887(1996) |
| Literature Reference DOI | 10.1021/np960171a |
| Molecular Weight | 436.676 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP848 |