| SpectraBase Compound ID | 6V7NV85u5Ca |
|---|---|
| InChI | InChI=1S/C28H38O9/c1-13(29)36-19-11-20(32)37-25(2,3)17-10-18(31)28(6)22-16(30)9-15(14-7-8-35-12-14)26(22,4)24(34)21(33)23(28)27(17,19)5/h7-8,12,15,17-19,21-24,31,33-34H,9-11H2,1-6H3/t15-,17-,18+,19-,21+,22+,23+,24-,26-,27+,28-/m0/s1 |
| InChIKey | NMUNZRHSVIUJQI-ORPHTWIOSA-N |
| Mol Weight | 518.6 g/mol |
| Molecular Formula | C28H38O9 |
| Exact Mass | 518.251583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2SSWQWhR4h2 |
|---|---|
| Name | APHANALIDE_K |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H38O9 |
| InChI | InChI=1S/C28H38O9/c1-13(29)36-19-11-20(32)37-25(2,3)17-10-18(31)28(6)22-16(30)9-15(14-7-8-35-12-14)26(22,4)24(34)21(33)23(28)27(17,19)5/h7-8,12,15,17-19,21-24,31,33-34H,9-11H2,1-6H3/t15-,17-,18+,19-,21+,22+,23+,24-,26-,27+,28-/m0/s1 |
| InChIKey | NMUNZRHSVIUJQI-ORPHTWIOSA-N |
| Literature Reference Author | Y.ZHANG,J.S.WANG,D.D.WEI,Y.C.GU,X.B.WANG,L.Y.KONG |
| Literature Reference Citation | J.NAT.PROD.,76,1191(2013) |
| Literature Reference DOI | 10.1021/np400126q |
| Molecular Weight | 518.604 g/mol |
| Sample ID | 42685 |
| Solvent | DMSO-D6 |