| SpectraBase Compound ID | o5qXn5PnJc |
|---|---|
| InChI | InChI=1S/C48H56O12/c1-43(2)34-10-13-48(7)35(46(34,5)12-11-36(43)60-42(58)31-22-28(39(53)54)19-29(23-31)40(55)56)9-8-32-33-24-44(3,14-15-45(33,4)16-17-47(32,48)6)25-59-41(57)30-20-26(37(49)50)18-27(21-30)38(51)52/h8-9,18-23,34-36H,10-17,24-25H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)/t34-,35+,36-,44-,45?,46?,47?,48?/m0/s1 |
| InChIKey | NXQVHYZLOKQRRR-HWTRBRCUSA-N |
| Mol Weight | 825.0 g/mol |
| Molecular Formula | C48H56O12 |
| Exact Mass | 824.377177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ADXkVtM7w3p |
|---|---|
| Name | 3-BETA,30-O-BIS-(3,5-DICARBOXYBENZENECARBONYL)-OLEAN-11,13(18)-DIEN |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H56O12 |
| InChI | InChI=1S/C48H56O12/c1-43(2)34-10-13-48(7)35(46(34,5)12-11-36(43)60-42(58)31-22-28(39(53)54)19-29(23-31)40(55)56)9-8-32-33-24-44(3,14-15-45(33,4)16-17-47(32,48)6)25-59-41(57)30-20-26(37(49)50)18-27(21-30)38(51)52/h8-9,18-23,34-36H,10-17,24-25H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)/t34-,35+,36-,44-,45?,46?,47?,48?/m0/s1 |
| InChIKey | NXQVHYZLOKQRRR-HWTRBRCUSA-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 | 824.965 g/mol |
| Sample ID | 54161 |
| Solvent | C3D6O |