SpectraBase Compound ID | 6zZq72jCaS7 |
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InChI | InChI=1S/C60H96O30/c1-55(2)13-15-60(54(80)90-52-42(75)37(70)34(67)28(85-52)21-81-49-43(76)38(71)45(27(20-63)84-49)87-50-40(73)35(68)32(65)25(18-61)82-50)16-14-58(5)23(24(60)17-55)7-8-30-56(3)11-10-31(57(4,22-64)29(56)9-12-59(30,58)6)86-53-44(77)39(72)46(47(89-53)48(78)79)88-51-41(74)36(69)33(66)26(19-62)83-51/h7,24-47,49-53,61-77H,8-22H2,1-6H3,(H,78,79)/t24?,25-,26-,27+,28+,29?,30?,31-,32+,33-,34+,35+,36+,37-,38+,39+,40-,41-,42+,43+,44+,45+,46-,47-,49+,50+,51+,52-,53+,56-,57-,58+,59+,60-/m0/s1 |
InChIKey | IGSHSDGADDQSEQ-GJAKOAGZSA-N |
Mol Weight | 1297.4 g/mol |
Molecular Formula | C60H96O30 |
Exact Mass | 1296.598642 g/mol |
SpectraBase Spectrum ID | 7WT9gOSVnnK |
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Name | LADYGINOSIDE-D;3-O-BETA-[GLUCOPYRANOSYL-(1->4)-GLUCURONOPYRANOSYL]-HEDERAGENIN-28-O-[GALACTOPYRANOSYL-(1->4)-GLUCOPYRANOSYL-(1->6)-GLUCOPYRANOSYL] |
Compound Number | 99 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C60H96O30 |
InChI | InChI=1S/C60H96O30/c1-55(2)13-15-60(54(80)90-52-42(75)37(70)34(67)28(85-52)21-81-49-43(76)38(71)45(27(20-63)84-49)87-50-40(73)35(68)32(65)25(18-61)82-50)16-14-58(5)23(24(60)17-55)7-8-30-56(3)11-10-31(57(4,22-64)29(56)9-12-59(30,58)6)86-53-44(77)39(72)46(47(89-53)48(78)79)88-51-41(74)36(69)33(66)26(19-62)83-51/h7,24-47,49-53,61-77H,8-22H2,1-6H3,(H,78,79)/t24?,25-,26-,27+,28+,29?,30?,31-,32+,33-,34+,35+,36+,37-,38+,39+,40-,41-,42+,43+,44+,45+,46-,47-,49+,50+,51+,52-,53+,56-,57-,58+,59+,60-/m0/s1 |
InChIKey | IGSHSDGADDQSEQ-GJAKOAGZSA-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 | 1297.404 g/mol |
Solvent | C5D5N |
Source File Reference | UWVN1144 |