SpectraBase Compound ID | J3i20EtJOUr |
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InChI | InChI=1S/C53H84O24/c1-48(2)13-15-53(47(69)77-44-40(66)36(62)34(60)27(74-44)21-71-45-41(37(63)33(59)26(19-55)73-45)76-43-39(65)35(61)32(58)25(18-54)72-43)16-14-50(4)22(23(53)17-48)7-8-28-49(3)11-10-30(75-42-38(64)31(57)24(56)20-70-42)52(6,46(67)68)29(49)9-12-51(28,50)5/h7,23-45,54-66H,8-21H2,1-6H3,(H,67,68)/t23-,24-,25+,26+,27+,28+,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45+,49+,50+,51+,52-,53-/m0/s1 |
InChIKey | DSOVPWHTAYTWNB-HSBRJBJOSA-N |
Mol Weight | 1105.2 g/mol |
Molecular Formula | C53H84O24 |
Exact Mass | 1104.535254 g/mol |
SpectraBase Spectrum ID | FmbFN6HrTpn |
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Name | #2;DIANTHOSAPONIN-B;GYPSOGENIC-ACID-3-O-ALPHA-L-ARABINOPYRANOSYL-28-BETA-D-(2'''-O-BETA-D-GLUCOPYRANOSYL)-(6''-O-BETA-D-GLUCOPYRANOSYL)-GLUCOPYRANOSYLESTER |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C53H84O24 |
InChI | InChI=1S/C53H84O24/c1-48(2)13-15-53(47(69)77-44-40(66)36(62)34(60)27(74-44)21-71-45-41(37(63)33(59)26(19-55)73-45)76-43-39(65)35(61)32(58)25(18-54)72-43)16-14-50(4)22(23(53)17-48)7-8-28-49(3)11-10-30(75-42-38(64)31(57)24(56)20-70-42)52(6,46(67)68)29(49)9-12-51(28,50)5/h7,23-45,54-66H,8-21H2,1-6H3,(H,67,68)/t23-,24-,25+,26+,27+,28+,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45+,49+,50+,51+,52-,53-/m0/s1 |
InChIKey | DSOVPWHTAYTWNB-HSBRJBJOSA-N |
Literature Reference Author | T.NAKANO,S.SUGIMOTO,K.MATSUNAMI,H.OTSUKA |
Literature Reference Citation | CHEM.PHARM.BULL.,59,1141(2011) |
Literature Reference DOI | 10.1248/cpb.59.1141 |
Molecular Weight | 1105.236 g/mol |
Source File Reference | UWIR3534 |