| SpectraBase Compound ID | 3YGicuXslsx |
|---|---|
| InChI | InChI=1S/C62H56O28/c1-81-55-31(67)19-33-39(45(55)71)47(73)57(53(85-33)25-7-15-29(65)16-8-25)89-61-51(77)49(75)43(69)35(87-61)21-83-59(79)41-37(23-3-11-27(63)12-4-23)42(38(41)24-5-13-28(64)14-6-24)60(80)84-22-36-44(70)50(76)52(78)62(88-36)90-58-48(74)40-34(20-32(68)56(82-2)46(40)72)86-54(58)26-9-17-30(66)18-10-26/h3-20,35-38,41-44,49-52,61-72,75-78H,21-22H2,1-2H3/t35-,36+,37-,38-,41-,42-,43-,44+,49+,50-,51-,52+,61+,62- |
| InChIKey | NNBOPQPMWAVYCT-DDYFUMLNSA-N |
| Mol Weight | 1249.1 g/mol |
| Molecular Formula | C62H56O28 |
| Exact Mass | 1248.295811 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4kxifKaha3v |
|---|---|
| Name | GENICULATIN |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H56O28 |
| InChI | InChI=1S/C62H56O28/c1-81-55-31(67)19-33-39(45(55)71)47(73)57(53(85-33)25-7-15-29(65)16-8-25)89-61-51(77)49(75)43(69)35(87-61)21-83-59(79)41-37(23-3-11-27(63)12-4-23)42(38(41)24-5-13-28(64)14-6-24)60(80)84-22-36-44(70)50(76)52(78)62(88-36)90-58-48(74)40-34(20-32(68)56(82-2)46(40)72)86-54(58)26-9-17-30(66)18-10-26/h3-20,35-38,41-44,49-52,61-72,75-78H,21-22H2,1-2H3/t35-,36+,37-,38-,41-,42-,43-,44+,49+,50-,51-,52+,61+,62- |
| InChIKey | NNBOPQPMWAVYCT-DDYFUMLNSA-N |
| Literature Reference Author | F.P.DOAMARAL,A.NAPOLITANO,M.MASULLO,L.C.DOSSANTOS,M.FESTA,W. VILEGAS,C.PIZZA,S.PI |
| Literature Reference Citation | J.NAT.PROD.,75,547(2012) |
| Literature Reference DOI | 10.1021/np200604k |
| Molecular Weight | 1249.110 g/mol |
| Sample ID | 40234 |
| Solvent | CD3OD |