| SpectraBase Compound ID | 2j5s33PpJAH |
|---|---|
| InChI | InChI=1S/C60H90O20/c1-32-54(65)43(67-9)28-51(71-32)78-56-34(3)73-53(30-45(56)69-11)80-57-35(4)74-52(31-46(57)70-12)79-55-33(2)72-50(29-44(55)68-10)76-40-22-24-58(7)39(26-40)19-20-42(62)41(58)27-48(77-49(64)21-18-38-16-14-13-15-17-38)59(8)47(63)23-25-60(59,66)36(5)75-37(6)61/h13-19,21,32-36,40-41,43-48,50-57,63,65-66H,20,22-31H2,1-12H3/b21-18+/t32-,33-,34-,35-,36-,40+,41+,43-,44+,45+,46-,47-,48+,50+,51+,52+,53+,54+,55-,56-,57+,58+,59-,60-/m1/s1 |
| InChIKey | JVGMAPNXFBYRGJ-QJMDUPCLSA-N |
| Mol Weight | 1131.4 g/mol |
| Molecular Formula | C60H90O20 |
| Exact Mass | 1130.602545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HoKTHDYbmuP |
|---|---|
| Name | #1;CYANOAURICULOSIDE-F;20-O-ACETYL-8,14-SECO-PENUPOGENIN-8-ONE-3-O-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-ALPHA-L-DIGINOPYRANOSYL-(1->4)- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H90O20 |
| InChI | InChI=1S/C60H90O20/c1-32-54(65)43(67-9)28-51(71-32)78-56-34(3)73-53(30-45(56)69-11)80-57-35(4)74-52(31-46(57)70-12)79-55-33(2)72-50(29-44(55)68-10)76-40-22-24-58(7)39(26-40)19-20-42(62)41(58)27-48(77-49(64)21-18-38-16-14-13-15-17-38)59(8)47(63)23-25-60(59,66)36(5)75-37(6)61/h13-19,21,32-36,40-41,43-48,50-57,63,65-66H,20,22-31H2,1-12H3/b21-18+/t32-,33-,34-,35-,36-,40+,41+,43-,44+,45+,46-,47-,48+,50+,51+,52+,53+,54+,55-,56-,57+,58+,59-,60-/m1/s1 |
| InChIKey | JVGMAPNXFBYRGJ-QJMDUPCLSA-N |
| Literature Reference Author | Y.LU,H.L.TENG,G.Z.YANG,Y.N.MEI |
| Literature Reference Citation | MOLECULES,16,1901(2011) |
| Literature Reference DOI | 10.3390/molecules16021901 |
| Molecular Weight | 1131.363 g/mol |
| Sample ID | 1 |
| Solvent | C5D5N |