| SpectraBase Compound ID | AMSdosYw8fp |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-8-22(19(2)3)10-9-20(4)23-14-18-30(33-32)26-12-11-24-21(5)27(31)15-16-28(24,6)25(26)13-17-29(23,30)7/h12,19-20,22-25,27,31-32H,5,8-11,13-18H2,1-4,6-7H3/t20-,22+,23-,24+,25+,27+,28+,29-,30-/m1/s1 |
| InChIKey | GEAFSGSDFLIGRT-DJRQQYLVSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EteF8ADtbXk |
|---|---|
| Name | THEONELLASTEROL-K |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-8-22(19(2)3)10-9-20(4)23-14-18-30(33-32)26-12-11-24-21(5)27(31)15-16-28(24,6)25(26)13-17-29(23,30)7/h12,19-20,22-25,27,31-32H,5,8-11,13-18H2,1-4,6-7H3/t20-,22+,23-,24+,25+,27+,28+,29-,30-/m1/s1 |
| InChIKey | GEAFSGSDFLIGRT-DJRQQYLVSA-N |
| Literature Reference Author | J.K.GUO,C.Y.CHIANG,M.C.LU,W.B.CHANG,J.H.SU |
| Literature Reference Citation | MAR.DRUGS,10,1536(2012) |
| Literature Reference DOI | 10.3390/md10071536 |
| Molecular Weight | 458.725 g/mol |
| Source File Reference | UWIR5870 |