| SpectraBase Compound ID | FeJgAhD8J5j |
|---|---|
| InChI | InChI=1S/2C27H42O3/c2*1-16(2)24(29)9-6-17(3)20-7-8-21-19-15-25(30)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 | WGXZFHMYLQZFLH-JIJMEUMDSA-N |
| Mol Weight | 829.3 g/mol |
| Molecular Formula | C54H84O6 |
| Exact Mass | 828.62679 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6GTZrlfMYf2 |
|---|---|
| Name | 6-BETA-24-EPSILON-DIHYDROXYCHOLESTA-4,25-DIEN-3-ONE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H84O6 |
| InChI | InChI=1S/2C27H42O3/c2*1-16(2)24(29)9-6-17(3)20-7-8-21-19-15-25(30)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 | WGXZFHMYLQZFLH-JIJMEUMDSA-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 | 829.257 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU401 |