| SpectraBase Compound ID | 1ypmUQHEpHY |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-23,25-26,28,30H,6-8,10,12-14,16H2,1-5H3/t19?,22-,23-,25-,26-,27-/m0/s1 |
| InChIKey | USFQLAVWHQCNDG-KNVGVKOZSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CUTe1ehyQVU |
|---|---|
| Name | CALCIFEROL-I |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O3 |
| InChI | InChI=1S/C27H42O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-23,25-26,28,30H,6-8,10,12-14,16H2,1-5H3/t19?,22-,23-,25-,26-,27-/m0/s1 |
| InChIKey | USFQLAVWHQCNDG-KNVGVKOZSA-N |
| Literature Reference Author | Y.SEO,K.W.CHO,H.CHUNG,H.S.LEE,J.SHIN |
| Literature Reference Citation | J.NAT.PROD.,61,1441(1998) |
| Literature Reference DOI | 10.1021/np980220e |
| Molecular Weight | 414.629 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS19584 |