| SpectraBase Compound ID | 4arCIKlI7vy |
|---|---|
| InChI | InChI=1S/C27H42O6/c1-14-5-10-27(32-13-14)15(2)21-20(33-27)11-18-16-6-9-26(31)12-19(28)22(29)23(30)25(26,4)17(16)7-8-24(18,21)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 | QJHBFAPCBZSCME-UASLHZFFSA-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 | HHfsCEmYftd |
|---|---|
| Name | TUPICHIGENIN-A;(20S,22R)-SPIROST-25(27)-ENE-1-BETA,2-BETA,3-BETA,5-BETA-TETRAOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 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)21-20(33-27)11-18-16-6-9-26(31)12-19(28)22(29)23(30)25(26,4)17(16)7-8-24(18,21)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 | QJHBFAPCBZSCME-UASLHZFFSA-N |
| Literature Reference Author | W.B.PAN,F.R.CHANG,Y.C.WU |
| Literature Reference Citation | J.NAT.PROD.,63,861(2000) |
| Literature Reference DOI | 10.1021/np990337i |
| Molecular Weight | 462.627 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWRU8505 |