| SpectraBase Compound ID | 7250v9ZMKW2 |
|---|---|
| InChI | InChI=1S/C46H56O8/c1-41(2)34-16-19-46(7)35(44(34,5)18-17-36(41)54-40(52)31-13-9-11-29(25-31)38(49)50)15-14-32-33-26-42(3,20-21-43(33,4)22-23-45(32,46)6)27-53-39(51)30-12-8-10-28(24-30)37(47)48/h8-15,24-25,34-36H,16-23,26-27H2,1-7H3,(H,47,48)(H,49,50)/t34-,35+,36-,42-,43?,44?,45?,46?/m0/s1 |
| InChIKey | QGLDKSFUUIMHPL-GMIVVJFWSA-N |
| Mol Weight | 736.9 g/mol |
| Molecular Formula | C46H56O8 |
| Exact Mass | 736.397519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8S2U0g1ocwq |
|---|---|
| Name | 3-BETA,30-O-BIS-(3-CARBOXYBENZENECARBONYL)-OLEAN-11,13(18)-DIEN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H56O8 |
| InChI | InChI=1S/C46H56O8/c1-41(2)34-16-19-46(7)35(44(34,5)18-17-36(41)54-40(52)31-13-9-11-29(25-31)38(49)50)15-14-32-33-26-42(3,20-21-43(33,4)22-23-45(32,46)6)27-53-39(51)30-12-8-10-28(24-30)37(47)48/h8-15,24-25,34-36H,16-23,26-27H2,1-7H3,(H,47,48)(H,49,50)/t34-,35+,36-,42-,43?,44?,45?,46?/m0/s1 |
| InChIKey | QGLDKSFUUIMHPL-GMIVVJFWSA-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 | 736.946 g/mol |
| Sample ID | 54159 |
| Solvent | C5D5N |