SpectraBase Compound ID | 7AFGxa2fPu4 |
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InChI | InChI=1S/C54H86O25/c1-49(2)13-15-54(48(71)79-46-40(68)35(63)32(60)26(75-46)20-72-44-38(66)33(61)30(58)24(18-55)73-44)16-14-52(5)22(23(54)17-49)7-8-28-50(3)11-10-29(51(4,21-57)27(50)9-12-53(28,52)6)76-47-42(37(65)36(64)41(77-47)43(69)70)78-45-39(67)34(62)31(59)25(19-56)74-45/h7,23-42,44-47,55-68H,8-21H2,1-6H3,(H,69,70)/t23-,24+,25+,26+,27+,28+,29-,30+,31-,32+,33-,34-,35-,36-,37-,38+,39+,40+,41-,42+,44+,45-,46-,47+,50-,51-,52+,53+,54-/m0/s1 |
InChIKey | KGHGGYSRJCWJQY-HFHCZFHCSA-N |
Mol Weight | 1135.3 g/mol |
Molecular Formula | C54H86O25 |
Exact Mass | 1134.545818 g/mol |
SpectraBase Spectrum ID | 480Iuz2uamx |
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Name | GIGANTEOSIDE-M;3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-28-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-HEDERAGENIN |
Compound Number | 2 |
Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C54H86O25 |
InChI | InChI=1S/C54H86O25/c1-49(2)13-15-54(48(71)79-46-40(68)35(63)32(60)26(75-46)20-72-44-38(66)33(61)30(58)24(18-55)73-44)16-14-52(5)22(23(54)17-49)7-8-28-50(3)11-10-29(51(4,21-57)27(50)9-12-53(28,52)6)76-47-42(37(65)36(64)41(77-47)43(69)70)78-45-39(67)34(62)31(59)25(19-56)74-45/h7,23-42,44-47,55-68H,8-21H2,1-6H3,(H,69,70)/t23-,24+,25+,26+,27+,28+,29-,30+,31-,32+,33-,34-,35-,36-,37-,38+,39+,40+,41-,42+,44+,45-,46-,47+,50-,51-,52+,53+,54-/m0/s1 |
InChIKey | KGHGGYSRJCWJQY-HFHCZFHCSA-N |
Literature Reference Author | N.TABATADZE,R.ELIAS,R.FAURE,P.GERKENS,M.C.D.PAUW-GILLET,E.KE MERTELIDZE,A.CHEA,E. |
Literature Reference Citation | CHEM.PHARM.BULL.,55,102(2007) |
Literature Reference DOI | 10.1248/cpb.55.102 |
Molecular Weight | 1135.262 g/mol |
Sample ID | 37360 |
Solvent | CD3OD |