| SpectraBase Compound ID | CjW8G7DSHaq |
|---|---|
| InChI | InChI=1S/C35H58O4/c1-21(2)11-10-12-23(5)24-15-16-33(9)26-14-13-25-31(6,7)30(39-27(36)19-22(3)4)28(37)29(38)35(25)20-34(26,35)18-17-32(24,33)8/h11,22-26,28-30,37-38H,10,12-20H2,1-9H3/t23-,24-,25+,26+,28-,29+,30+,32-,33+,34+,35-/m1/s1 |
| InChIKey | YWDGWURPVXINEI-DYQOHTMLSA-N |
| Mol Weight | 542.8 g/mol |
| Molecular Formula | C35H58O4 |
| Exact Mass | 542.43351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BSymVyIVBZA |
|---|---|
| Name | 3-BETA-ISOVALEROYLOXYCYCLOARTAN-24-ENE-1-ALPHA,2-ALPHA-DIOL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H58O4 |
| InChI | InChI=1S/C35H58O4/c1-21(2)11-10-12-23(5)24-15-16-33(9)26-14-13-25-31(6,7)30(39-27(36)19-22(3)4)28(37)29(38)35(25)20-34(26,35)18-17-32(24,33)8/h11,22-26,28-30,37-38H,10,12-20H2,1-9H3/t23-,24-,25+,26+,28-,29+,30+,32-,33+,34+,35-/m1/s1 |
| InChIKey | YWDGWURPVXINEI-DYQOHTMLSA-N |
| Literature Reference Author | T.SHEN,H.Q.YUAN,W.Z.WAN,X.L.WANG,X.N.WANG,M.JI,H.X.LOU |
| Literature Reference Citation | J.NAT.PROD.,71,81(2008) |
| Literature Reference DOI | 10.1021/np070442p |
| Molecular Weight | 542.843 g/mol |
| Sample ID | 27214 |
| Solvent | CDCl3 |