| SpectraBase Compound ID | nIId47DFaB |
|---|---|
| InChI | InChI=1S/C28H48O5/c1-15(17(3)14-29)6-7-16(2)20-13-23(32)24-18-12-22(31)25-26(33)21(30)9-11-27(25,4)19(18)8-10-28(20,24)5/h6-7,15-26,29-33H,8-14H2,1-5H3/b7-6+/t15-,16+,17-,18+,19?,20+,21-,22+,23+,24?,25-,26-,27+,28+/m0/s1 |
| InChIKey | KCGCBQKWOISAIN-CJNPFTISSA-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 | EucpQTJt64m |
|---|---|
| Name | CERTONARDOSTEROL_B2 |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H48O5 |
| InChI | InChI=1S/C28H48O5/c1-15(17(3)14-29)6-7-16(2)20-13-23(32)24-18-12-22(31)25-26(33)21(30)9-11-27(25,4)19(18)8-10-28(20,24)5/h6-7,15-26,29-33H,8-14H2,1-5H3/b7-6+/t15-,16+,17-,18+,19?,20+,21-,22+,23+,24?,25-,26-,27+,28+/m0/s1 |
| InChIKey | KCGCBQKWOISAIN-CJNPFTISSA-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 | UWMZ5683 |