| SpectraBase Compound ID | 4lNG5GYPKg9 |
|---|---|
| InChI | InChI=1S/2C27H48O4/c2*1-17(16-28)6-5-7-18(2)21-8-9-22-20-14-24(30)27(31)15-19(29)10-13-26(27,4)23(20)11-12-25(21,22)3/h2*17-24,28-31H,5-16H2,1-4H3/t17-,18+,19-,20-,21+,22-,23-,24+,25+,26+,27-;17-,18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m01/s1 |
| InChIKey | YWQLUEAQGBWYOS-HPKVBPJDSA-N |
| Mol Weight | 873.4 g/mol |
| Molecular Formula | C54H96O8 |
| Exact Mass | 872.71052 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DKFO3sEXlOY |
|---|---|
| Name | CHOLESTANE-3-BETA,5-ALPHA,6-BETA,26-TETROL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H96O8 |
| InChI | InChI=1S/2C27H48O4/c2*1-17(16-28)6-5-7-18(2)21-8-9-22-20-14-24(30)27(31)15-19(29)10-13-26(27,4)23(20)11-12-25(21,22)3/h2*17-24,28-31H,5-16H2,1-4H3/t17-,18+,19-,20-,21+,22-,23-,24+,25+,26+,27-;17-,18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m01/s1 |
| InChIKey | YWQLUEAQGBWYOS-HPKVBPJDSA-N |
| Literature Reference Author | G.K.LIYANAGE,F.J.SCHMITZ |
| Literature Reference Citation | J.NAT.PROD.,59,148(1996) |
| Literature Reference DOI | 10.1021/np960032t |
| Molecular Weight | 873.351 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP2592 |