| SpectraBase Compound ID | 9WM4ITggshI |
|---|---|
| InChI | InChI=1S/C29H52O6/c1-16(2)18(10-13-30)7-6-17(3)23-24(33)25(34)26-28(23,5)12-9-22-27(4)11-8-19(31)14-20(27)21(32)15-29(22,26)35/h16-26,30-35H,6-15H2,1-5H3/t17-,18+,19+,20-,21+,22?,23+,24-,25-,26?,27+,28-,29+/m1/s1 |
| InChIKey | HFOBNNRAEFMSKE-WELRGHQASA-N |
| Mol Weight | 496.7 g/mol |
| Molecular Formula | C29H52O6 |
| Exact Mass | 496.376389 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 561V7LpekYk |
|---|---|
| Name | CERTONARDOSTEROL_O1 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H52O6 |
| InChI | InChI=1S/C29H52O6/c1-16(2)18(10-13-30)7-6-17(3)23-24(33)25(34)26-28(23,5)12-9-22-27(4)11-8-19(31)14-20(27)21(32)15-29(22,26)35/h16-26,30-35H,6-15H2,1-5H3/t17-,18+,19+,20-,21+,22?,23+,24-,25-,26?,27+,28-,29+/m1/s1 |
| InChIKey | HFOBNNRAEFMSKE-WELRGHQASA-N |
| Literature Reference Author | W.WANG,J.HONG,C.O.LEE,K.S.IM,J.S.CHOI,J.H.JUNG |
| Literature Reference Citation | J.NAT.PROD.,67,584(2004) |
| Literature Reference DOI | 10.1021/np030427u |
| Molecular Weight | 496.728 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ5677 |