SpectraBase Compound ID | 8IefP83ywnr |
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InChI | InChI=1S/C63H98O31/c1-24-45(89-52-44(79)46(29(68)22-84-52)90-51-41(76)34(69)27(66)20-83-51)40(75)43(78)53(86-24)92-48-35(70)28(67)21-85-55(48)94-57(82)63-16-14-58(2,3)18-26(63)25-8-9-32-59(4)12-11-33(60(5,23-65)31(59)10-13-62(32,7)61(25,6)15-17-63)88-56-49(39(74)38(73)47(91-56)50(80)81)93-54-42(77)37(72)36(71)30(19-64)87-54/h8,23-24,26-49,51-56,64,66-79H,9-22H2,1-7H3,(H,80,81)/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+,51+,52+,53-,54-,55-,56+,59-,60-,61+,62+,63-/m0/s1 |
InChIKey | SVEKHGCFPSJNDW-NRZDWFATSA-N |
Mol Weight | 1351.4 g/mol |
Molecular Formula | C63H98O31 |
Exact Mass | 1350.609206 g/mol |
SpectraBase Spectrum ID | 56ogEpoI9Lk |
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Name | THLADIOSIDE-H1;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-GYPSOGENIN-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-( |
Compound Number | 163 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C63H98O31 |
InChI | InChI=1S/C63H98O31/c1-24-45(89-52-44(79)46(29(68)22-84-52)90-51-41(76)34(69)27(66)20-83-51)40(75)43(78)53(86-24)92-48-35(70)28(67)21-85-55(48)94-57(82)63-16-14-58(2,3)18-26(63)25-8-9-32-59(4)12-11-33(60(5,23-65)31(59)10-13-62(32,7)61(25,6)15-17-63)88-56-49(39(74)38(73)47(91-56)50(80)81)93-54-42(77)37(72)36(71)30(19-64)87-54/h8,23-24,26-49,51-56,64,66-79H,9-22H2,1-7H3,(H,80,81)/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+,51+,52+,53-,54-,55-,56+,59-,60-,61+,62+,63-/m0/s1 |
InChIKey | SVEKHGCFPSJNDW-NRZDWFATSA-N |
Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
Molecular Weight | 1351.453 g/mol |
Solvent | C5D5N |
Source File Reference | UWVN1127 |