| SpectraBase Compound ID | 6xRPIDwjRg6 |
|---|---|
| InChI | InChI=1S/C31H37NO8/c1-18(2)24(34)28(36)39-25-26(40-27(35)21-10-8-14-32-16-21)31(6,37)29(4,13-12-20-15-23(33)38-17-20)22-11-7-9-19(3)30(22,25)5/h8-10,12-16,18,22,25-26,37H,7,11,17H2,1-6H3/b13-12+/t22-,25+,26+,29-,30+,31+/m1/s1 |
| InChIKey | HIVFEOLTCPRWLR-QIDHMWRMSA-N |
| Mol Weight | 551.6 g/mol |
| Molecular Formula | C31H37NO8 |
| Exact Mass | 551.251917 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3K1SrPAZ6y5 |
|---|---|
| Name | 6-O-(2-CARBONYL-3-METHYLBUTANOYL)-SCUTEHENANINE_A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H37NO8 |
| InChI | InChI=1S/C31H37NO8/c1-18(2)24(34)28(36)39-25-26(40-27(35)21-10-8-14-32-16-21)31(6,37)29(4,13-12-20-15-23(33)38-17-20)22-11-7-9-19(3)30(22,25)5/h8-10,12-16,18,22,25-26,37H,7,11,17H2,1-6H3/b13-12+/t22-,25+,26+,29-,30+,31+/m1/s1 |
| InChIKey | HIVFEOLTCPRWLR-QIDHMWRMSA-N |
| Literature Reference Author | S.J.DAI,W.B.PENG,D.W.ZHANG,L.SHEN,W.Y.WANG,Y.REN |
| Literature Reference Citation | J.NAT.PROD.,72,1793(2009) |
| Literature Reference DOI | 10.1021/np900362z |
| Molecular Weight | 551.637 g/mol |
| Sample ID | 33672 |
| Solvent | CDCl3 |