| SpectraBase Compound ID | 5eQtms2MsHt |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-16(2)11-21(27)29-15-25(28)14-24-13-17(25)7-8-18(24)23(5)10-6-9-22(3,4)19(23)12-20(24)26/h11,17-20,26,28H,6-10,12-15H2,1-5H3/t17-,18+,19-,20+,23+,24-,25+/m1/s1 |
| InChIKey | HGXSLFHBGBEREA-DDUYGNKYSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C25H40O4 |
| Exact Mass | 404.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DOtGwWYf9c2 |
|---|---|
| Name | SCULPONEATIN-N;17-(3-METHYL-2-BUTENOYL)-ENT-KAURANE-7-ALPHA-16-BETA-DIOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H40O4 |
| InChI | InChI=1S/C25H40O4/c1-16(2)11-21(27)29-15-25(28)14-24-13-17(25)7-8-18(24)23(5)10-6-9-22(3,4)19(23)12-20(24)26/h11,17-20,26,28H,6-10,12-15H2,1-5H3/t17-,18+,19-,20+,23+,24-,25+/m1/s1 |
| InChIKey | HGXSLFHBGBEREA-DDUYGNKYSA-N |
| Literature Reference Author | F.WANG,X.M.LI,J.K.LIU |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,525(2009) |
| Literature Reference DOI | 10.1248/cpb.57.525 |
| Molecular Weight | 404.590 g/mol |
| Sample ID | 2314 |
| Solvent | CDCl3 |