| SpectraBase Compound ID | HPtSpCQicJN |
|---|---|
| InChI | InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h7-9,11,17-19,21,24-27,29-30H,10,12-16H2,1-6H3/b8-7+/t19?,21?,24-,25+,26-,27+,28+/m0/s1 |
| InChIKey | WPPVLVJCHIZUQE-WLHBZABTSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C28H44O2 |
| Exact Mass | 412.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KxzeBUgaQVK |
|---|---|
| Name | CALCIFEROL-F |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H44O2 |
| InChI | InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h7-9,11,17-19,21,24-27,29-30H,10,12-16H2,1-6H3/b8-7+/t19?,21?,24-,25+,26-,27+,28+/m0/s1 |
| InChIKey | WPPVLVJCHIZUQE-WLHBZABTSA-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 | 412.656 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS19581 |