| SpectraBase Compound ID | 5q5cmibB0rC |
|---|---|
| InChI | InChI=1S/C30H46O6/c1-25(2,23(33)34)20-10-11-30(7)21(28(20,5)17-22(31)32)9-8-18-19-16-27(4,24(35)36)13-12-26(19,3)14-15-29(18,30)6/h8,19-21H,9-17H2,1-7H3,(H,31,32)(H,33,34)(H,35,36)/t19-,20-,21+,26+,27-,28-,29+,30+/m0/s1 |
| InChIKey | OUMSJTAKUAUUQR-OHSRBGEISA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C30H46O6 |
| Exact Mass | 502.329439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GlTcr5FUcFD |
|---|---|
| Name | 2,3-SECO-OLEAN-12-ENE-2,3,30-TRIOIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O6 |
| InChI | InChI=1S/C30H46O6/c1-25(2,23(33)34)20-10-11-30(7)21(28(20,5)17-22(31)32)9-8-18-19-16-27(4,24(35)36)13-12-26(19,3)14-15-29(18,30)6/h8,19-21H,9-17H2,1-7H3,(H,31,32)(H,33,34)(H,35,36)/t19-,20-,21+,26+,27-,28-,29+,30+/m0/s1 |
| InChIKey | OUMSJTAKUAUUQR-OHSRBGEISA-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 | 502.692 g/mol |
| Sample ID | 2792 |
| Solvent | DMSO-D6 |