| SpectraBase Compound ID | 8oW4QGy0eLA |
|---|---|
| InChI | InChI=1S/C76H124O39/c1-27-40(81)46(87)52(93)64(103-27)111-58-33(22-78)106-62(55(96)49(58)90)101-25-35-44(85)48(89)54(95)67(109-35)115-70(99)76-18-16-71(3,4)20-30(76)29-10-11-38-73(7)14-13-39(72(5,6)37(73)12-15-75(38,9)74(29,8)17-19-76)110-69-61(42(83)31(80)24-100-69)114-68-57(98)60(41(82)28(2)104-68)113-63-51(92)45(86)36(26-102-63)108-65-56(97)50(91)59(34(23-79)107-65)112-66-53(94)47(88)43(84)32(21-77)105-66/h10,27-28,30-69,77-98H,11-26H2,1-9H3/t27-,28+,30+,31+,32+,33-,34-,35-,36-,37+,38-,39+,40-,41+,42+,43+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63+,64-,65+,66-,67+,68+,69+,73+,74-,75-,76+/m1/s1 |
| InChIKey | FICAKDVNAHFTMY-LQPNBKAJSA-N |
| Mol Weight | 1661.8 g/mol |
| Molecular Formula | C76H124O39 |
| Exact Mass | 1660.771974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2sFTdcOyWMa |
|---|---|
| Name | #5;CLEMATIUNICINOSIDE-E;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-RIBOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H124O39 |
| InChI | InChI=1S/C76H124O39/c1-27-40(81)46(87)52(93)64(103-27)111-58-33(22-78)106-62(55(96)49(58)90)101-25-35-44(85)48(89)54(95)67(109-35)115-70(99)76-18-16-71(3,4)20-30(76)29-10-11-38-73(7)14-13-39(72(5,6)37(73)12-15-75(38,9)74(29,8)17-19-76)110-69-61(42(83)31(80)24-100-69)114-68-57(98)60(41(82)28(2)104-68)113-63-51(92)45(86)36(26-102-63)108-65-56(97)50(91)59(34(23-79)107-65)112-66-53(94)47(88)43(84)32(21-77)105-66/h10,27-28,30-69,77-98H,11-26H2,1-9H3/t27-,28+,30+,31+,32+,33-,34-,35-,36-,37+,38-,39+,40-,41+,42+,43+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63+,64-,65+,66-,67+,68+,69+,73+,74-,75-,76+/m1/s1 |
| InChIKey | FICAKDVNAHFTMY-LQPNBKAJSA-N |
| Literature Reference Author | S.G.LI,X.J.HUANG,M.M.LI,M.WANG,R.B.FENG,W.ZHANG,Y.L.LI,Y.WAN G,W.C.YE |
| Literature Reference Citation | CHEM.PHARM.BULL.,62,35(2014) |
| Literature Reference DOI | 10.1248/cpb.c13-00269 |
| Molecular Weight | 1661.797 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT13810 |