| SpectraBase Compound ID | L8v13G4k1N8 |
|---|---|
| InChI | InChI=1S/C27H42O5/c1-15-5-10-27(31-14-15)16(2)23-21(32-27)12-20-18-6-9-26(30)13-17(28)11-22(29)25(26,4)19(18)7-8-24(20,23)3/h16-23,28-30H,1,5-14H2,2-4H3/t16-,17-,18+,19-,20?,21-,22+,23-,24-,25-,26-,27+/m0/s1 |
| InChIKey | GFMZVJNSWOANRO-UWEWLSSQSA-N |
| Mol Weight | 446.6 g/mol |
| Molecular Formula | C27H42O5 |
| Exact Mass | 446.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KBhEaq9Shjb |
|---|---|
| Name | TUPICHIGENIN-E;SPIROST-25(27)-EN-1-BETA,3-BETA,5-BETA-TRIOL |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O5 |
| InChI | InChI=1S/C27H42O5/c1-15-5-10-27(31-14-15)16(2)23-21(32-27)12-20-18-6-9-26(30)13-17(28)11-22(29)25(26,4)19(18)7-8-24(20,23)3/h16-23,28-30H,1,5-14H2,2-4H3/t16-,17-,18+,19-,20?,21-,22+,23-,24-,25-,26-,27+/m0/s1 |
| InChIKey | GFMZVJNSWOANRO-UWEWLSSQSA-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 | 446.627 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI4449 |