| SpectraBase Compound ID | JyjbvJ90xKY |
|---|---|
| InChI | InChI=1S/2C27H42O4/c2*1-16(2)25(31-30)9-6-17(3)20-7-8-21-19-15-24(29)23-14-18(28)10-12-27(23,5)22(19)11-13-26(20,21)4/h2*14,17,19-22,24-25,29-30H,1,6-13,15H2,2-5H3/t17-,19-,20+,21-,22-,24+,25+,26+,27+;17-,19-,20+,21-,22-,24+,25-,26+,27+/m00/s1 |
| InChIKey | VSHOBWBJKQWNHC-KHLNREJCSA-N |
| Mol Weight | 861.3 g/mol |
| Molecular Formula | C54H84O8 |
| Exact Mass | 860.61662 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMoIjuJt90t |
|---|---|
| Name | 24-EPSILON-HYDRO-PEROXY-6-BETA-HYDROXY-CHOLESTA-4,25-DIEN-3-ONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H84O8 |
| InChI | InChI=1S/2C27H42O4/c2*1-16(2)25(31-30)9-6-17(3)20-7-8-21-19-15-24(29)23-14-18(28)10-12-27(23,5)22(19)11-13-26(20,21)4/h2*14,17,19-22,24-25,29-30H,1,6-13,15H2,2-5H3/t17-,19-,20+,21-,22-,24+,25+,26+,27+;17-,19-,20+,21-,22-,24+,25-,26+,27+/m00/s1 |
| InChIKey | VSHOBWBJKQWNHC-KHLNREJCSA-N |
| Literature Reference Author | J.H.SHEU,S.Y.HUANG,G.H.WANG,C.Y.DUH |
| Literature Reference Citation | J.NAT.PROD.,60,900(1997) |
| Literature Reference DOI | 10.1021/np9701844 |
| Molecular Weight | 861.256 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU397 |