![CHLOROMALOSIDE_D;NEOTIGENIN_3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[ALPHA-L-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RH](/api/spectrum/uW0rSpSytl/structure.png?h=300&w=458 "CHLOROMALOSIDE_D;NEOTIGENIN_3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[ALPHA-L-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RH")
| SpectraBase Compound ID | AfpS75lGpjt |
|---|---|
| InChI | InChI=1S/C55H90O25/c1-21-8-13-55(71-18-21)22(2)34-31(80-55)15-28-26-7-6-24-14-25(9-11-53(24,4)27(26)10-12-54(28,34)5)73-51-46(78-50-42(67)39(64)35(60)23(3)72-50)43(68)44(33(17-57)75-51)76-52-47(79-49-41(66)37(62)30(59)20-70-49)45(38(63)32(16-56)74-52)77-48-40(65)36(61)29(58)19-69-48/h21-52,56-68H,6-20H2,1-5H3/t21-,22-,23-,24-,25-,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+/m0/s1 |
| InChIKey | YYCFEJVBMMGRLX-SLPNSNTISA-N |
| Mol Weight | 1151.3 g/mol |
| Molecular Formula | C55H90O25 |
| Exact Mass | 1150.577118 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | uW0rSpSytl |
|---|---|
| Name | CHLOROMALOSIDE_D;NEOTIGENIN_3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[ALPHA-L-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RH |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H90O25 |
| InChI | InChI=1S/C55H90O25/c1-21-8-13-55(71-18-21)22(2)34-31(80-55)15-28-26-7-6-24-14-25(9-11-53(24,4)27(26)10-12-54(28,34)5)73-51-46(78-50-42(67)39(64)35(60)23(3)72-50)43(68)44(33(17-57)75-51)76-52-47(79-49-41(66)37(62)30(59)20-70-49)45(38(63)32(16-56)74-52)77-48-40(65)36(61)29(58)19-69-48/h21-52,56-68H,6-20H2,1-5H3/t21-,22-,23-,24-,25-,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+/m0/s1 |
| InChIKey | YYCFEJVBMMGRLX-SLPNSNTISA-N |
| Literature Reference Author | X.C.LI,D.Z.WANG,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,29,3893(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85354-I |
| Molecular Weight | 1151.305 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ19526 |