| SpectraBase Compound ID | 3Ad2S9tRNiZ |
|---|---|
| InChI | InChI=1S/C30H44O5/c1-18-23(33)19(32)15-21-27(4)12-14-29(6)22-16-26(3,24(34)35)10-9-25(22,2)11-13-28(29,5)20(27)7-8-30(18,21)17-31/h17,20-22,33H,7-16H2,1-6H3,(H,34,35)/t20?,21?,22-,25-,26-,27-,28-,29+,30+/m1/s1 |
| InChIKey | CDOKUYLTAYCBST-GKMFGOQDSA-N |
| Mol Weight | 484.7 g/mol |
| Molecular Formula | C30H44O5 |
| Exact Mass | 484.318875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I2grnVTop6U |
|---|---|
| Name | 3-HYDROXY-D:A-FRIEDOOLEAN-24-AL-3-EN-2-ON-29-OIC_ACID;CANGORONINE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44O5 |
| InChI | InChI=1S/C30H44O5/c1-18-23(33)19(32)15-21-27(4)12-14-29(6)22-16-26(3,24(34)35)10-9-25(22,2)11-13-28(29,5)20(27)7-8-30(18,21)17-31/h17,20-22,33H,7-16H2,1-6H3,(H,34,35)/t20?,21?,22-,25-,26-,27-,28-,29+,30+/m1/s1 |
| InChIKey | CDOKUYLTAYCBST-GKMFGOQDSA-N |
| Literature Reference Author | T.MOROTA,C.X.YANG,H.SASAKI,W.Z.QIN,K.SUGAMA,K.L.MIAO,T.YOSHI NO,L.H.XU,M.MARUNO,B |
| Literature Reference Citation | PHYTOCHEM.,39,1153(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00116-O |
| Molecular Weight | 484.676 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ9025 |