| SpectraBase Compound ID | 2A4AP6SHu6J |
|---|---|
| InChI | InChI=1S/C41H30O28/c42-13-1-8(2-14(43)24(13)49)34(55)68-39-33-32-30(65-38(59)12(6-19(47)48)23-22-11(37(58)67-33)5-17(46)27(52)31(22)69-41(23,62)40(60)61)18(64-39)7-63-35(56)9-3-15(44)25(50)28(53)20(9)21-10(36(57)66-32)4-16(45)26(51)29(21)54/h1-5,12,18,23,30,32-33,39,42-46,49-54,62H,6-7H2,(H,47,48)(H,60,61)/t12?,18-,23+,30-,32+,33-,39+,41+/m1/s1 |
| InChIKey | JPFWNDBMKIVWMS-RFNSHJOLSA-N |
| Mol Weight | 970.7 g/mol |
| Molecular Formula | C41H30O28 |
| Exact Mass | 970.09236 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KVz7XRTVgU7 |
|---|---|
| Name | PHYLLANEMBLININ-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H30O28 |
| InChI | InChI=1S/C41H30O28/c42-13-1-8(2-14(43)24(13)49)34(55)68-39-33-32-30(65-38(59)12(6-19(47)48)23-22-11(37(58)67-33)5-17(46)27(52)31(22)69-41(23,62)40(60)61)18(64-39)7-63-35(56)9-3-15(44)25(50)28(53)20(9)21-10(36(57)66-32)4-16(45)26(51)29(21)54/h1-5,12,18,23,30,32-33,39,42-46,49-54,62H,6-7H2,(H,47,48)(H,60,61)/t12?,18-,23+,30-,32+,33-,39+,41+/m1/s1 |
| InChIKey | JPFWNDBMKIVWMS-RFNSHJOLSA-N |
| Literature Reference Author | Y.J.ZHANG,T.ABE,T.TANAKA,C.R.YANG,I.KOUNO |
| Literature Reference Citation | J.NAT.PROD.,64,1527(2001) |
| Literature Reference DOI | 10.1021/np010370g |
| Molecular Weight | 970.672 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWSI2391 |