| SpectraBase Compound ID | BZeNiwBZZIU |
|---|---|
| InChI | InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32(29(45)24(43)19-42)34-50-20-38(5)25-10-13-40(7)26(37(25,4)12-11-27(38)52-34)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23+,24+,25-,26-,27+,28-,29+,30+,31+,32+,33-,34-,37+,38-,39-,40-,41+/m1/s1 |
| InChIKey | DINYRIQIXLTGMG-GKYHRUBJSA-N |
| Mol Weight | 751.0 g/mol |
| Molecular Formula | C41H66O12 |
| Exact Mass | 750.455428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H2k9Prr0aMj |
|---|---|
| Name | ANEMOClEMOSIDE_B;ALPHA-L-RHAMNOPYRANOSYL-(1->2)-(1-R)-L-ARABINOSE-HEDERAGENIN-1',3:1',23-ACETAL;3,23-O-[2-(O-ALPHA-L-RHAMNOPYRANOSYL)-(2-R),(3-S),( |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H66O12 |
| InChI | InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32(29(45)24(43)19-42)34-50-20-38(5)25-10-13-40(7)26(37(25,4)12-11-27(38)52-34)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23+,24+,25-,26-,27+,28-,29+,30+,31+,32+,33-,34-,37+,38-,39-,40-,41+/m1/s1 |
| InChIKey | DINYRIQIXLTGMG-GKYHRUBJSA-N |
| Literature Reference Author | X.C.LI,C.R.YANG,Y.Q.LIU,R.KASAI,K.OHTANI,K.YAMASAKI,K.MIYAHA RA,K.SHINGU |
| Literature Reference Citation | PHYTOCHEM.,39,1175(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00107-I |
| Molecular Weight | 750.968 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ9046 |