| SpectraBase Compound ID | 9q3qh5eW6C2 |
|---|---|
| InChI | InChI=1S/C28H48O5/c1-16(18(3)15-29)6-7-17(2)20-13-22(31)25-27(20,5)11-9-24-26(4)10-8-19(30)12-21(26)23(32)14-28(24,25)33/h6-7,16-25,29-33H,8-15H2,1-5H3/b7-6+/t16-,17+,18-,19-,20+,21+,22+,23-,24?,25?,26-,27+,28-/m0/s1 |
| InChIKey | CAJSDLMSCZXCNV-NKDIJRNSSA-N |
| Mol Weight | 464.7 g/mol |
| Molecular Formula | C28H48O5 |
| Exact Mass | 464.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7AiBhSjyKvP |
|---|---|
| Name | CERTONARDOSTEROL_C2 |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H48O5 |
| InChI | InChI=1S/C28H48O5/c1-16(18(3)15-29)6-7-17(2)20-13-22(31)25-27(20,5)11-9-24-26(4)10-8-19(30)12-21(26)23(32)14-28(24,25)33/h6-7,16-25,29-33H,8-15H2,1-5H3/b7-6+/t16-,17+,18-,19-,20+,21+,22+,23-,24?,25?,26-,27+,28-/m0/s1 |
| InChIKey | CAJSDLMSCZXCNV-NKDIJRNSSA-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 | 464.686 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ5682 |