| SpectraBase Compound ID | 8tQsvRij81D |
|---|---|
| InChI | InChI=1S/C31H47NO11/c1-14(2)9-22(40-7)27(37)28(38)32-29(41-8)23-13-24(36)31(5,6)25(42-23)12-19(34)16(4)21-10-17-15(3)18(33)11-20(35)26(17)30(39)43-21/h11,16,19,21-25,27,29,33-37H,1,9-10,12-13H2,2-8H3,(H,32,38)/t16-,19+,21+,22?,23-,24+,25+,27+,29+/m0/s1 |
| InChIKey | BNNIEBYABSNREN-VPBPGZEISA-N |
| Mol Weight | 609.7 g/mol |
| Molecular Formula | C31H47NO11 |
| Exact Mass | 609.314911 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KQujSBGSQRs |
|---|---|
| Name | PSYMBERIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H47NO11 |
| InChI | InChI=1S/C31H47NO11/c1-14(2)9-22(40-7)27(37)28(38)32-29(41-8)23-13-24(36)31(5,6)25(42-23)12-19(34)16(4)21-10-17-15(3)18(33)11-20(35)26(17)30(39)43-21/h11,16,19,21-25,27,29,33-37H,1,9-10,12-13H2,2-8H3,(H,32,38)/t16-,19+,21+,22?,23-,24+,25+,27+,29+/m0/s1 |
| InChIKey | BNNIEBYABSNREN-VPBPGZEISA-N |
| Literature Reference Author | R.H.CICHEWICZ,F.A.VALERIOTE,P.CREWS |
| Literature Reference Citation | ORG.LETTERS,6,1951(2004) |
| Literature Reference DOI | 10.1021/ol049503q |
| Molecular Weight | 609.714 g/mol |
| Sample ID | 53173 |
| Solvent | CD3OD |