| SpectraBase Compound ID | GxyIZoQEG9H |
|---|---|
| InChI | InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h7,9,11,17,20,23-26,28-29H,6,8,10,12-16H2,1-5H3/t20?,23-,24+,25-,26+,27+/m0/s1 |
| InChIKey | ZPCCPRPWNOOZTC-JPMWJRAMSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C27H42O2 |
| Exact Mass | 398.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | rMgb7pPiKn |
|---|---|
| Name | CALCIFEROL-G |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O2 |
| InChI | InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h7,9,11,17,20,23-26,28-29H,6,8,10,12-16H2,1-5H3/t20?,23-,24+,25-,26+,27+/m0/s1 |
| InChIKey | ZPCCPRPWNOOZTC-JPMWJRAMSA-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 | 398.629 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS19582 |