| SpectraBase Compound ID | JFRSGsJTIXD |
|---|---|
| InChI | InChI=1S/C64H102O32/c1-23-34(69)41(76)49(94-55-46(81)48(93-53-43(78)36(71)29(68)21-86-53)47(24(2)89-55)92-52-42(77)35(70)28(67)20-85-52)56(88-23)96-58(84)64-15-13-59(3,4)17-26(64)25-9-10-32-60(5)18-27(66)50(63(8,57(82)83)33(60)11-12-62(32,7)61(25,6)14-16-64)95-54-45(80)40(75)38(73)31(91-54)22-87-51-44(79)39(74)37(72)30(19-65)90-51/h9,23-24,26-56,65-81H,10-22H2,1-8H3,(H,82,83)/t23-,24+,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+,53+,54+,55+,56+,60-,61-,62-,63+,64+/m1/s1 |
| InChIKey | GGKLVDWWCZRHMV-CLRUZEPMSA-N |
| Mol Weight | 1383.5 g/mol |
| Molecular Formula | C64H102O32 |
| Exact Mass | 1382.635421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GHXU5sz8roH |
|---|---|
| Name | ASTERBATANOSIDE_K;3-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-MEDICAGENIC_ACID_28-BETA-D-XYLOPYRANOSYL-(1->4)-[ALPHA-L-ARABINOPYRANOSYL- |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H102O32 |
| InChI | InChI=1S/C64H102O32/c1-23-34(69)41(76)49(94-55-46(81)48(93-53-43(78)36(71)29(68)21-86-53)47(24(2)89-55)92-52-42(77)35(70)28(67)20-85-52)56(88-23)96-58(84)64-15-13-59(3,4)17-26(64)25-9-10-32-60(5)18-27(66)50(63(8,57(82)83)33(60)11-12-62(32,7)61(25,6)14-16-64)95-54-45(80)40(75)38(73)31(91-54)22-87-51-44(79)39(74)37(72)30(19-65)90-51/h9,23-24,26-56,65-81H,10-22H2,1-8H3,(H,82,83)/t23-,24+,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+,53+,54+,55+,56+,60-,61-,62-,63+,64+/m1/s1 |
| InChIKey | GGKLVDWWCZRHMV-CLRUZEPMSA-N |
| Literature Reference Author | Y.SHAO,B.ZHOU,K.MA,H.WU,L.LIN,G.A.CORDELL |
| Literature Reference Citation | PHYTOCHEM.,39,875(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00016-Z |
| Molecular Weight | 1383.495 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ9070 |