| SpectraBase Compound ID | 6HfqFbU5oRV |
|---|---|
| InChI | InChI=1S/C28H48O4/c1-16(2)18(15-29)7-6-17(3)22-14-25(32)26-20-13-24(31)23-12-19(30)8-10-27(23,4)21(20)9-11-28(22,26)5/h6-7,16-26,29-32H,8-15H2,1-5H3/b7-6+/t17-,18+,19+,20?,21?,22-,23-,24+,25-,26?,27-,28-/m1/s1 |
| InChIKey | OPELMUKUWKWTPN-CMUMDKHSSA-N |
| Mol Weight | 448.7 g/mol |
| Molecular Formula | C28H48O4 |
| Exact Mass | 448.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 88rxYXV6hy0 |
|---|---|
| Name | CERTONARDOSTEROL_D2;(E)-(24R)-24-METHYL-5-ALPHA-CHOLEST-22-ENE-3-BETA,6-ALPHA,15-BETA,24(1)-TETROL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H48O4 |
| InChI | InChI=1S/C28H48O4/c1-16(2)18(15-29)7-6-17(3)22-14-25(32)26-20-13-24(31)23-12-19(30)8-10-27(23,4)21(20)9-11-28(22,26)5/h6-7,16-26,29-32H,8-15H2,1-5H3/b7-6+/t17-,18+,19+,20?,21?,22-,23-,24+,25-,26?,27-,28-/m1/s1 |
| InChIKey | OPELMUKUWKWTPN-CMUMDKHSSA-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 | 448.687 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ5674 |