| SpectraBase Compound ID | HPOtsWXa2LM |
|---|---|
| InChI | InChI=1S/C27H42O6/c1-14-5-10-27(32-13-14)15(2)22-20(33-27)11-18-16-6-9-26(31)23(30)19(28)12-21(29)25(26,4)17(16)7-8-24(18,22)3/h15-23,28-31H,1,5-13H2,2-4H3/t15-,16+,17-,18?,19-,20-,21+,22-,23-,24-,25-,26-,27+/m0/s1 |
| InChIKey | LLALJIDXOPBDFG-IMJQNHHZSA-N |
| Mol Weight | 462.6 g/mol |
| Molecular Formula | C27H42O6 |
| Exact Mass | 462.298139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GF6fAD14hVq |
|---|---|
| Name | TUPICHIGENIN-D;SPIROST-25(27)-EN-1-BETA,3-ALPHA,4-BETA,5-BETA-TETRAOL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O6 |
| InChI | InChI=1S/C27H42O6/c1-14-5-10-27(32-13-14)15(2)22-20(33-27)11-18-16-6-9-26(31)23(30)19(28)12-21(29)25(26,4)17(16)7-8-24(18,22)3/h15-23,28-31H,1,5-13H2,2-4H3/t15-,16+,17-,18?,19-,20-,21+,22-,23-,24-,25-,26-,27+/m0/s1 |
| InChIKey | LLALJIDXOPBDFG-IMJQNHHZSA-N |
| Literature Reference Author | W.B.PAN,F.R.CHANG,L.M.WEI,Y.C.WU |
| Literature Reference Citation | J.NAT.PROD.,66,161(2003) |
| Literature Reference DOI | 10.1021/np0203382 |
| Molecular Weight | 462.627 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI4448 |