| SpectraBase Compound ID | 42VUJuzCFuw |
|---|---|
| InChI | InChI=1S/C27H42O7/c1-13-5-8-26(33-12-13)14(2)22-19(34-26)10-17-15-9-21(30)27(32)23(31)18(28)11-20(29)25(27,4)16(15)6-7-24(17,22)3/h14-23,28-32H,1,5-12H2,2-4H3/t14-,15+,16-,17-,18-,19-,20+,21+,22-,23-,24-,25-,26+,27-/m0/s1 |
| InChIKey | XWJOTGWLVMIWIP-CDPRMLNKSA-N |
| Mol Weight | 478.6 g/mol |
| Molecular Formula | C27H42O7 |
| Exact Mass | 478.293054 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I1wkVNfmzOp |
|---|---|
| Name | TUPICHIGENIN-B;SPIROST-25(27)-ENE-1-BETA,3-BETA,4-BETA,5-BETA,6-BETA-PENTAOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O7 |
| InChI | InChI=1S/C27H42O7/c1-13-5-8-26(33-12-13)14(2)22-19(34-26)10-17-15-9-21(30)27(32)23(31)18(28)11-20(29)25(27,4)16(15)6-7-24(17,22)3/h14-23,28-32H,1,5-12H2,2-4H3/t14-,15+,16-,17-,18-,19-,20+,21+,22-,23-,24-,25-,26+,27-/m0/s1 |
| InChIKey | XWJOTGWLVMIWIP-CDPRMLNKSA-N |
| Literature Reference Author | W.B.PAN,F.R.CHANG,Y.C.WU |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,1350(2000) |
| Literature Reference DOI | 10.1248/cpb.48.1350 |
| Molecular Weight | 478.626 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN4512 |