| SpectraBase Compound ID | B2NTE3YRF8A |
|---|---|
| InChI | InChI=1S/C31H48O4/c1-18(2)20(4)22(32)16-19(3)21-10-12-28(6)23-8-9-24-29(7,26(34)35)25(33)11-13-30(24)17-31(23,30)15-14-27(21,28)5/h18-19,21,23-25,33H,4,8-17H2,1-3,5-7H3,(H,34,35)/t19-,21-,23+,24+,25+,27-,28+,29+,30-,31+/m1/s1 |
| InChIKey | WQEZWRYDIACQGV-RIWNFLIFSA-N |
| Mol Weight | 484.7 g/mol |
| Molecular Formula | C31H48O4 |
| Exact Mass | 484.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EbVn1hIWWgX |
|---|---|
| Name | 3-BETA-HYDROXY-24-METHYLCYCLOART-24-(24A)-EN-23-ON-29-OIC_ACID |
| Compound Number | 29 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O4 |
| InChI | InChI=1S/C31H48O4/c1-18(2)20(4)22(32)16-19(3)21-10-12-28(6)23-8-9-24-29(7,26(34)35)25(33)11-13-30(24)17-31(23,30)15-14-27(21,28)5/h18-19,21,23-25,33H,4,8-17H2,1-3,5-7H3,(H,34,35)/t19-,21-,23+,24+,25+,27-,28+,29+,30-,31+/m1/s1 |
| InChIKey | WQEZWRYDIACQGV-RIWNFLIFSA-N |
| Literature Reference Author | C.LONG,J.BECK,F.CANTAGREL,L.MARCOURT,L.VENDIER,B.DAVID,F.PLI SSON,F.DERGUINI,I.VA |
| Literature Reference Citation | J.NAT.PROD.,75,34(2012) |
| Literature Reference DOI | 10.1021/np200441h |
| Molecular Weight | 484.720 g/mol |
| Sample ID | 39740 |
| Solvent | CD3OD |