| SpectraBase Compound ID | AAtevS1iikS |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-18-19(2)25-20-9-10-23-28(6)13-12-24(32)26(3,4)22(28)11-14-30(23,8)29(20,7)16-15-27(25,5)17-21(18)31/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21+,22-,23+,24-,25+,27-,28-,29+,30+/m0/s1 |
| InChIKey | BRSGFKGWKATOQT-KDQNFVFXSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2EXcfKhC0CW |
|---|---|
| Name | CICHORIDIOL;18-ALPHA,19-BETA-20-(30)-TARAXASTEN-3-BETA,21-ALPHA-DIOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-18-19(2)25-20-9-10-23-28(6)13-12-24(32)26(3,4)22(28)11-14-30(23,8)29(20,7)16-15-27(25,5)17-21(18)31/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21+,22-,23+,24-,25+,27-,28-,29+,30+/m0/s1 |
| InChIKey | BRSGFKGWKATOQT-KDQNFVFXSA-N |
| Literature Reference Author | A.U.RAHMAN,S.ZAREEN,M.I.CHOUDHARY,M.N.AKHTAR,S.N.KHAN |
| Literature Reference Citation | J.NAT.PROD.,71,910(2008) |
| Literature Reference DOI | 10.1021/np800001v |
| Molecular Weight | 442.726 g/mol |
| Sample ID | 28345 |
| Solvent | Unknown |