| SpectraBase Compound ID | 4VgpA1Pm1Po |
|---|---|
| InChI | InChI=1S/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18?,22+,23-,24-,25-,26+,27+,28-/m0/s1 |
| InChIKey | YNEPXUIPALKHAU-CMEPOLGASA-N |
| Mol Weight | 563.0 g/mol |
| Molecular Formula | C28H31ClO10 |
| Exact Mass | 562.160575 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4yFH7Iae3d0 |
|---|---|
| Name | PHYSALIN-H;5-ALPHA-CHLORO-6-BETA-HYDROXY-5,6-DIHYDROPHYSALIN-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H31ClO10 |
| InChI | InChI=1S/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18?,22+,23-,24-,25-,26+,27+,28-/m0/s1 |
| InChIKey | YNEPXUIPALKHAU-CMEPOLGASA-N |
| Literature Reference Author | B.MAKINO,M.KAWAI,T.OGURA,M.NAKANISHI,H.YAMAMURA,Y.BUTSUGAN |
| Literature Reference Citation | J.NAT.PROD.,58,1668(1995) |
| Literature Reference DOI | 10.1021/np50125a004 |
| Molecular Weight | 563.001 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS23369 |