| SpectraBase Compound ID | KUoLKhEkeLW |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-17(2)18(3)7-8-20(16-30)23-11-12-24-21-9-10-22-19(4)27(32)26(31)15-29(22,6)25(21)13-14-28(23,24)5/h9,17,19-20,22-27,30-32H,3,7-8,10-16H2,1-2,4-6H3/t19-,20?,22-,23+,24-,25-,26+,27+,28+,29-/m0/s1 |
| InChIKey | OJCFPYLTKWNLCE-VBOAGFEISA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | XPmInYqdlw |
|---|---|
| Name | FRUTICOSIDE_A;4-ALPHA-METHYL-2-ALPHA,3-BETA,21-TRIHYDROXY-5-ALPHA-ERGOST-7,24-(28)-DIENE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-17(2)18(3)7-8-20(16-30)23-11-12-24-21-9-10-22-19(4)27(32)26(31)15-29(22,6)25(21)13-14-28(23,24)5/h9,17,19-20,22-27,30-32H,3,7-8,10-16H2,1-2,4-6H3/t19-,20?,22-,23+,24-,25-,26+,27+,28+,29-/m0/s1 |
| InChIKey | OJCFPYLTKWNLCE-VBOAGFEISA-N |
| Literature Reference Author | Y.P.LIU,X.H.CAI,T.FENG,Y.LI,X.N.LI,X.D.LUO |
| Literature Reference Citation | J.NAT.PROD.,74,1161(2011) |
| Literature Reference DOI | 10.1021/np2000914 |
| Molecular Weight | 444.698 g/mol |
| Sample ID | 38207 |
| Solvent | CDCl3:CD3OD |