| SpectraBase Compound ID | FQyTGKVINEC |
|---|---|
| InChI | InChI=1S/C60H48O24/c61-23-13-35(72)41-39(15-23)80-54(20-2-6-27(64)32(69)10-20)51(77)44(41)48-50(76)47-45(43-37(74)18-30(67)25-17-38(75)53(81-56(25)43)19-1-5-26(63)31(68)9-19)52(78)55(21-3-7-28(65)33(70)11-21)82-57(47)49-46-42-36(73)14-24(62)16-40(42)83-60(59(46)79,84-58(48)49)22-4-8-29(66)34(71)12-22/h1-16,18,38,44-46,51-55,59,61-79H,17H2/t38-,44+,45-,46+,51+,52+,53+,54+,55+,59+,60-/m0/s1 |
| InChIKey | MIKRORKCMXNOCX-IATHEQPCSA-N |
| Mol Weight | 1153.0 g/mol |
| Molecular Formula | C60H48O24 |
| Exact Mass | 1152.253552 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6w0Q4kOa0Cg |
|---|---|
| Name | CASSIATANNIN_A |
| Compound Number | 4B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H48O24 |
| InChI | InChI=1S/C60H48O24/c61-23-13-35(72)41-39(15-23)80-54(20-2-6-27(64)32(69)10-20)51(77)44(41)48-50(76)47-45(43-37(74)18-30(67)25-17-38(75)53(81-56(25)43)19-1-5-26(63)31(68)9-19)52(78)55(21-3-7-28(65)33(70)11-21)82-57(47)49-46-42-36(73)14-24(62)16-40(42)83-60(59(46)79,84-58(48)49)22-4-8-29(66)34(71)12-22/h1-16,18,38,44-46,51-55,59,61-79H,17H2/t38-,44+,45-,46+,51+,52+,53+,54+,55+,59+,60-/m0/s1 |
| InChIKey | MIKRORKCMXNOCX-IATHEQPCSA-N |
| Literature Reference Author | K.B.KILLDAY,M.H.DAVEY,J.A.GLINSKI,P.DUAN,R.VELURI,G.PRONI,F. J.DAUGHERTY,M.S.TEMP |
| Literature Reference Citation | J.NAT.PROD.,74,1833(2011) |
| Literature Reference DOI | 10.1021/np1007944 |
| Molecular Weight | 1153.027 g/mol |
| Sample ID | 39180 |
| Solvent | DMSO-D6 |