| SpectraBase Compound ID | Bcss9wq1zVd |
|---|---|
| InChI | InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-16(23)21(32)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)22(33)37-25/h4-5,8,13-16,18-19,29,34H,6-7,9-11H2,1-3H3/t13-,14?,15?,16+,18-,19?,23-,24+,25+,26-,27+,28+/m1/s1 |
| InChIKey | JMNMXSXLYDOMTI-XBYBFYNTSA-N |
| Mol Weight | 526.54 g/mol |
| Molecular Formula | C28H30O10 |
| Exact Mass | 526.183897 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KVE725iUplW |
|---|---|
| Name | ISOPHYSALIN_G;3-BETA-HYDROXY-2,3-DIHYDRO-4,7-DIDEHYDROPHYSALIN_B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H30O10 |
| InChI | InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-16(23)21(32)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)22(33)37-25/h4-5,8,13-16,18-19,29,34H,6-7,9-11H2,1-3H3/t13-,14?,15?,16+,18-,19?,23-,24+,25+,26-,27+,28+/m1/s1 |
| InChIKey | JMNMXSXLYDOMTI-XBYBFYNTSA-N |
| Literature Reference Author | L.QIU,F.ZHAO,Z.H.JIANG,L.X.CHEN,Q.ZHAO,H.X.LIU,X.S.YAO,F.QIU |
| Literature Reference Citation | J.NAT.PROD.,71,642(2008) |
| Literature Reference DOI | 10.1021/np700713r |
| Molecular Weight | 526.540 g/mol |
| Sample ID | 27659 |
| Solvent | DMSO-D6 |