| SpectraBase Compound ID | LcQ6wXMGuMd |
|---|---|
| InChI | InChI=1S/C25H29ClO9/c1-6-14(3)21(30)24(4,33)8-7-15-11-16-17(12-34-15)22(31)25(5,23(32)20(16)26)35-19(29)10-13(2)9-18(27)28/h7-8,10-12,14,21,30,33H,6,9H2,1-5H3,(H,27,28)/b8-7+,13-10+/t14?,21?,24?,25-/m0/s1 |
| InChIKey | KRQJBTNVZHCANM-OKGAVDOMSA-N |
| Mol Weight | 508.95 g/mol |
| Molecular Formula | C25H29ClO9 |
| Exact Mass | 508.15001 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L4QyBoYX4Pj |
|---|---|
| Name | HELICUSIN-E |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H29ClO9 |
| InChI | InChI=1S/C25H29ClO9/c1-6-14(3)21(30)24(4,33)8-7-15-11-16-17(12-34-15)22(31)25(5,23(32)20(16)26)35-19(29)10-13(2)9-18(27)28/h7-8,10-12,14,21,30,33H,6,9H2,1-5H3,(H,27,28)/b8-7+,13-10+/t14?,21?,24?,25-/m0/s1 |
| InChIKey | KRQJBTNVZHCANM-OKGAVDOMSA-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 | 508.953 g/mol |
| Source File Reference | UWLU74785 |