| SpectraBase Compound ID | 9Qpu0PXD2GU |
|---|---|
| InChI | InChI=1S/C55H90O18/c1-15-39-36(10)73-55(65-14,27-43(39)69-47-25-41(57)51(63)38(12)67-47)34(8)49(61)32(6)53-29(3)21-17-19-22-44(58)70-52(28(2)20-16-18-23-45(59)71-53)31(5)48(60)33(7)54(64-13)26-42(30(4)35(9)72-54)68-46-24-40(56)50(62)37(11)66-46/h16-23,28-43,46-53,56-57,60-63H,15,24-27H2,1-14H3/b20-16+,21-17+,22-19+,23-18+/t28-,29-,30+,31-,32-,33-,34-,35+,36+,37-,38+,39+,40-,41+,42+,43+,46-,47+,48+,49+,50+,51-,52-,53-,54+,55+/m0/s1 |
| InChIKey | HQMHAVMTXIYJJU-RQWOPFOBSA-N |
| Mol Weight | 1039.3 g/mol |
| Molecular Formula | C55H90O18 |
| Exact Mass | 1038.612716 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dxo9qGrsgUV |
|---|---|
| Name | 11,11'-O-DIMETHYL-14'-DEETHYL-14'-METHYLELAIOPHYLLIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H90O18 |
| InChI | InChI=1S/C55H90O18/c1-15-39-36(10)73-55(65-14,27-43(39)69-47-25-41(57)51(63)38(12)67-47)34(8)49(61)32(6)53-29(3)21-17-19-22-44(58)70-52(28(2)20-16-18-23-45(59)71-53)31(5)48(60)33(7)54(64-13)26-42(30(4)35(9)72-54)68-46-24-40(56)50(62)37(11)66-46/h16-23,28-43,46-53,56-57,60-63H,15,24-27H2,1-14H3/b20-16+,21-17+,22-19+,23-18+/t28-,29-,30+,31-,32-,33-,34-,35+,36+,37-,38+,39+,40-,41+,42+,43+,46-,47+,48+,49+,50+,51-,52-,53-,54+,55+/m0/s1 |
| InChIKey | HQMHAVMTXIYJJU-RQWOPFOBSA-N |
| Literature Reference Author | C.WU,Y.TAN,M.GAN,Y.WANG,Y.GUAN,X.HU,H.ZHOU,X.SHANG,X.YOU,Z.Y ANG,C.XIAO |
| Literature Reference Citation | J.NAT.PROD.,76,2153(2013) |
| Literature Reference DOI | 10.1021/np4006794 |
| Molecular Weight | 1039.309 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ43652 |