| SpectraBase Compound ID | AoZVQQrD3j8 |
|---|---|
| InChI | InChI=1S/C30H46O3/c1-18-8-13-30(17-31)15-14-28(6)20(24(30)19(18)2)16-21(32)25-27(5)11-10-23(33)26(3,4)22(27)9-12-29(25,28)7/h16,18-19,22,24-25,31H,8-15,17H2,1-7H3/t18-,19+,22+,24+,25-,27+,28-,29-,30-/m1/s1 |
| InChIKey | CTTJSWLTAZKFDV-SQFIMYRMSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C30H46O3 |
| Exact Mass | 454.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DoDmkIZYaVR |
|---|---|
| Name | KRUKOVINE-B;28-HYDROXY-URS-12-ENE-3,11-DIONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O3 |
| InChI | InChI=1S/C30H46O3/c1-18-8-13-30(17-31)15-14-28(6)20(24(30)19(18)2)16-21(32)25-27(5)11-10-23(33)26(3,4)22(27)9-12-29(25,28)7/h16,18-19,22,24-25,31H,8-15,17H2,1-7H3/t18-,19+,22+,24+,25-,27+,28-,29-,30-/m1/s1 |
| InChIKey | CTTJSWLTAZKFDV-SQFIMYRMSA-N |
| Literature Reference Author | O.SHIROTA,T.TAMEMURA,H.MORITA,K.TAKEYA,H.ITOKAWA |
| Literature Reference Citation | J.NAT.PROD.,59,1072(1996) |
| Literature Reference DOI | 10.1021/np960390w |
| Molecular Weight | 454.693 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP666 |