| SpectraBase Compound ID | K4W3knySXPK |
|---|---|
| InChI | InChI=1S/C59H96O27/c1-24-34(64)38(68)42(72)49(79-24)84-46-29(20-61)81-48(45(75)41(46)71)78-22-30-37(67)40(70)44(74)51(82-30)86-53(76)59-16-14-54(2,3)18-26(59)25-8-9-32-55(4)12-11-33(56(5,23-62)31(55)10-13-58(32,7)57(25,6)15-17-59)83-52-47(35(65)27(63)21-77-52)85-50-43(73)39(69)36(66)28(19-60)80-50/h8,24,26-52,60-75H,9-23H2,1-7H3/t24-,26+,27+,28-,29-,30-,31-,32-,33+,34-,35+,36-,37-,38+,39+,40+,41-,42+,43-,44-,45-,46-,47-,48-,49-,50+,51+,52+,55+,56+,57-,58-,59+/m1/s1 |
| InChIKey | SRSSAQMYMNLZFL-XJYDFXEXSA-N |
| Mol Weight | 1237.4 g/mol |
| Molecular Formula | C59H96O27 |
| Exact Mass | 1236.613898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4cMnCiczKBC |
|---|---|
| Name | CAULOSIDE-F;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-HEDERAGENIN-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)- |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H96O27 |
| InChI | InChI=1S/C59H96O27/c1-24-34(64)38(68)42(72)49(79-24)84-46-29(20-61)81-48(45(75)41(46)71)78-22-30-37(67)40(70)44(74)51(82-30)86-53(76)59-16-14-54(2,3)18-26(59)25-8-9-32-55(4)12-11-33(56(5,23-62)31(55)10-13-58(32,7)57(25,6)15-17-59)83-52-47(35(65)27(63)21-77-52)85-50-43(73)39(69)36(66)28(19-60)80-50/h8,24,26-52,60-75H,9-23H2,1-7H3/t24-,26+,27+,28-,29-,30-,31-,32-,33+,34-,35+,36-,37-,38+,39+,40+,41-,42+,43-,44-,45-,46-,47-,48-,49-,50+,51+,52+,55+,56+,57-,58-,59+/m1/s1 |
| InChIKey | SRSSAQMYMNLZFL-XJYDFXEXSA-N |
| Literature Reference Author | X.C.LI,D.Z.WANG,S.G.WU,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,29,595(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85123-W |
| Molecular Weight | 1237.395 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI25102 |