| SpectraBase Compound ID | 36SwTG9JItw |
|---|---|
| InChI | InChI=1S/C46H64O8/c1-41(2)34-18-21-46(7)35(44(34,5)20-19-36(41)54-40(52)31-15-11-9-13-29(31)38(49)50)17-16-32-33-26-42(3,22-23-43(33,4)24-25-45(32,46)6)27-53-39(51)30-14-10-8-12-28(30)37(47)48/h8-11,16-17,28-31,34-36H,12-15,18-27H2,1-7H3,(H,47,48)(H,49,50)/t28?,29?,30?,31?,34-,35+,36-,42-,43?,44?,45?,46?/m0/s1 |
| InChIKey | XJWSFPNOCVBUNL-JSJXKKBQSA-N |
| Mol Weight | 745.0 g/mol |
| Molecular Formula | C46H64O8 |
| Exact Mass | 744.460119 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMFEoaymMvQ |
|---|---|
| Name | 3-BETA,30-O-BIS-(2-CARBOXY-4-CYCLOHEXENECARBONYL)-OLEAN-11,13(18)-DIEN |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H64O8 |
| InChI | InChI=1S/C46H64O8/c1-41(2)34-18-21-46(7)35(44(34,5)20-19-36(41)54-40(52)31-15-11-9-13-29(31)38(49)50)17-16-32-33-26-42(3,22-23-43(33,4)24-25-45(32,46)6)27-53-39(51)30-14-10-8-12-28(30)37(47)48/h8-11,16-17,28-31,34-36H,12-15,18-27H2,1-7H3,(H,47,48)(H,49,50)/t28?,29?,30?,31?,34-,35+,36-,42-,43?,44?,45?,46?/m0/s1 |
| InChIKey | XJWSFPNOCVBUNL-JSJXKKBQSA-N |
| Literature Reference Author | M.TSUKAHARA,T.NISHINO,I.FURUHASHI,H.INOUE,T.SATO,H.MATSUMOTO |
| Literature Reference Citation | CHEM.PHARM.BULL.,53,1103(2005) |
| Literature Reference DOI | 10.1248/cpb.53.1103 |
| Molecular Weight | 745.009 g/mol |
| Sample ID | 54165 |
| Solvent | CD3OD |