| SpectraBase Compound ID | AU9h5VlT9Ot |
|---|---|
| InChI | InChI=1S/C27H32ClNO7/c1-6-16(2)11-17(3)7-8-19-14-20-21(15-29(19)9-10-30)25(34)27(5,26(35)24(20)28)36-23(33)13-18(4)12-22(31)32/h7-8,11,13-16,30H,6,9-10,12H2,1-5H3,(H,31,32)/b8-7+,17-11+,18-13+/t16?,27-/m0/s1 |
| InChIKey | ZRVRVSKUBHAMCG-DJPNUOAVSA-N |
| Mol Weight | 518.0 g/mol |
| Molecular Formula | C27H32ClNO7 |
| Exact Mass | 517.18673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GF1aRlMaIvN |
|---|---|
| Name | ISOCHROMOPHILONE-X |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H32ClNO7 |
| InChI | InChI=1S/C27H32ClNO7/c1-6-16(2)11-17(3)7-8-19-14-20-21(15-29(19)9-10-30)25(34)27(5,26(35)24(20)28)36-23(33)13-18(4)12-22(31)32/h7-8,11,13-16,30H,6,9-10,12H2,1-5H3,(H,31,32)/b8-7+,17-11+,18-13+/t16?,27-/m0/s1 |
| InChIKey | ZRVRVSKUBHAMCG-DJPNUOAVSA-N |
| Literature Reference Author | N.JANSEN,B.OHLENDORF,A.ERHARD,T.BRUHN,G.BRINGMANN,J.F.IMHOFF |
| Literature Reference Citation | MAR.DRUGS,11,800(2013) |
| Literature Reference DOI | 10.3390/md11030800 |
| Molecular Weight | 518.007 g/mol |
| Source File Reference | UWLU74782 |