| SpectraBase Compound ID | D08wmoKV99I |
|---|---|
| InChI | InChI=1S/C34H54O6/c1-9-10-19-40-28(39)34-17-15-29(2,3)20-23(34)22-11-12-25-31(6,21-26(35)36)24(30(4,5)27(37)38)13-14-33(25,8)32(22,7)16-18-34/h11,23-25H,9-10,12-21H2,1-8H3,(H,35,36)(H,37,38)/t23-,24-,25+,31-,32+,33+,34-/m0/s1 |
| InChIKey | ZPATZYMRJVLZEK-WKSHVXBWSA-N |
| Mol Weight | 558.8 g/mol |
| Molecular Formula | C34H54O6 |
| Exact Mass | 558.392039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Ta6vcKhyGL |
|---|---|
| Name | 2,3-SECO-OLEAN-12-ENE-2,3,28-TRIOIC-ACID-28-BUTYLESTER |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H54O6 |
| InChI | InChI=1S/C34H54O6/c1-9-10-19-40-28(39)34-17-15-29(2,3)20-23(34)22-11-12-25-31(6,21-26(35)36)24(30(4,5)27(37)38)13-14-33(25,8)32(22,7)16-18-34/h11,23-25H,9-10,12-21H2,1-8H3,(H,35,36)(H,37,38)/t23-,24-,25+,31-,32+,33+,34-/m0/s1 |
| InChIKey | ZPATZYMRJVLZEK-WKSHVXBWSA-N |
| Literature Reference Author | R.A.S.MACAHIG,K.MATSUNAMI,H.OTSUKA |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,397(2011) |
| Literature Reference DOI | 10.1248/cpb.59.397 |
| Molecular Weight | 558.799 g/mol |
| Sample ID | 2795 |
| Solvent | DMSO-D6 |