| SpectraBase Compound ID | HDc4YKskK2M |
|---|---|
| InChI | InChI=1S/2C25H36O3/c2*1-16-7-10-20-24(4,18(16)9-8-17-15-21(26)28-22(17)27)14-11-19-23(2,3)12-6-13-25(19,20)5/h2*8-9,15,18-20,22,27H,1,6-7,10-14H2,2-5H3/b2*9-8+/t18-,19?,20+,22+,24+,25+;18-,19?,20+,22-,24+,25+/m11/s1 |
| InChIKey | SXGCHFSWASCPTE-WVWDQSEYSA-N |
| Mol Weight | 769.1 g/mol |
| Molecular Formula | C50H72O6 |
| Exact Mass | 768.53289 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5RxZHNt9Kja |
|---|---|
| Name | 25-HYDROXY-13(24),15,17-CHEILANTHATRIEN-19,25-OLIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H72O6 |
| InChI | InChI=1S/2C25H36O3/c2*1-16-7-10-20-24(4,18(16)9-8-17-15-21(26)28-22(17)27)14-11-19-23(2,3)12-6-13-25(19,20)5/h2*8-9,15,18-20,22,27H,1,6-7,10-14H2,2-5H3/b2*9-8+/t18-,19?,20+,22+,24+,25+;18-,19?,20+,22-,24+,25+/m11/s1 |
| InChIKey | SXGCHFSWASCPTE-WVWDQSEYSA-N |
| Literature Reference Author | M.S.BUCHANAN,A.EDSER,G.KING,J.WHITMORE,R.J.QUINN |
| Literature Reference Citation | J.NAT.PROD.,64,300(2001) |
| Literature Reference DOI | 10.1021/np0004597 |
| Molecular Weight | 769.118 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU3925 |