| SpectraBase Compound ID | 7WEzFUxHdzv |
|---|---|
| InChI | InChI=1S/C30H42O6/c1-16(2)17-9-12-29(24(33)34)13-14-30(25(35)36)18(22(17)29)7-8-20-27(5)11-10-21(32)26(3,4)23(27)19(31)15-28(20,30)6/h17-18,20,22-23H,1,7-15H2,2-6H3,(H,33,34)(H,35,36)/t17-,18?,20?,22?,23?,27+,28+,29-,30+/m0/s1 |
| InChIKey | CBDYJCSZOXAWEV-BXONYKSLSA-N |
| Mol Weight | 498.7 g/mol |
| Molecular Formula | C30H42O6 |
| Exact Mass | 498.298139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KPNPn2jBI0D |
|---|---|
| Name | LUP-20(29)-EN-3,6-DIONE-27,28-DIOIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H42O6 |
| InChI | InChI=1S/C30H42O6/c1-16(2)17-9-12-29(24(33)34)13-14-30(25(35)36)18(22(17)29)7-8-20-27(5)11-10-21(32)26(3,4)23(27)19(31)15-28(20,30)6/h17-18,20,22-23H,1,7-15H2,2-6H3,(H,33,34)(H,35,36)/t17-,18?,20?,22?,23?,27+,28+,29-,30+/m0/s1 |
| InChIKey | CBDYJCSZOXAWEV-BXONYKSLSA-N |
| Literature Reference Author | Y.C.SHEN,C.V.S.PRAKASH,L.T.WANG,C.T.CHIEN,M.C.HUNG |
| Literature Reference Citation | J.NAT.PROD.,65,1052(2002) |
| Literature Reference DOI | 10.1021/np020007p |
| Molecular Weight | 498.660 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI6249 |