| SpectraBase Compound ID | BOkWbp9MgtB |
|---|---|
| InChI | InChI=1S/C30H44O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8-9,20-21H,10-18H2,1-7H3,(H,32,33)/t20-,21-,26+,27-,28-,29+,30+/m0/s1 |
| InChIKey | HDWVISPHUGFDMW-IITIDZKMSA-N |
| Mol Weight | 452.7 g/mol |
| Molecular Formula | C30H44O3 |
| Exact Mass | 452.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3JUIKYBUHxA |
|---|---|
| Name | 3-OXOOLEAN-9(11),12-DIENE-30-OIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44O3 |
| InChI | InChI=1S/C30H44O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8-9,20-21H,10-18H2,1-7H3,(H,32,33)/t20-,21-,26+,27-,28-,29+,30+/m0/s1 |
| InChIKey | HDWVISPHUGFDMW-IITIDZKMSA-N |
| Literature Reference Author | I.MUHAMMAD,K.A.ELSAYED,J.S.MOSSA,M.S.AL-SAID,F.S.EL-FERALY,A .M.CLARK,C.D.HUFFORD |
| Literature Reference Citation | J.NAT.PROD.,63,605(2000) |
| Literature Reference DOI | 10.1021/np990456y |
| Molecular Weight | 452.678 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU5781 |