| SpectraBase Compound ID | JyEMCy2E54c |
|---|---|
| InChI | InChI=1S/C29H52O7/c1-15(2)17(10-13-30)7-6-16(3)21-24(34)25(35)26-28(21,5)12-9-20-27(4)11-8-18(31)23(33)22(27)19(32)14-29(20,26)36/h15-26,30-36H,6-14H2,1-5H3/t16-,17+,18+,19+,20?,21+,22+,23+,24-,25-,26?,27-,28-,29+/m1/s1 |
| InChIKey | LVWCIHZIRLWTAH-UFYOEYRQSA-N |
| Mol Weight | 512.7 g/mol |
| Molecular Formula | C29H52O7 |
| Exact Mass | 512.371304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4jhuDsNZo3d |
|---|---|
| Name | CERTONARDOSTEROL_P1 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H52O7 |
| InChI | InChI=1S/C29H52O7/c1-15(2)17(10-13-30)7-6-16(3)21-24(34)25(35)26-28(21,5)12-9-20-27(4)11-8-18(31)23(33)22(27)19(32)14-29(20,26)36/h15-26,30-36H,6-14H2,1-5H3/t16-,17+,18+,19+,20?,21+,22+,23+,24-,25-,26?,27-,28-,29+/m1/s1 |
| InChIKey | LVWCIHZIRLWTAH-UFYOEYRQSA-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 | 512.728 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ5678 |