SpectraBase Compound ID | 4sb2eTCqVq1 |
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InChI | InChI=1S/C57H90O24/c1-10-24(2)47(72)76-34-19-52(3,4)17-26-25-11-12-31-54(7)15-14-33(53(5,6)30(54)13-16-55(31,8)56(25,9)18-32(62)57(26,34)23-59)77-51-45(81-49-40(68)38(66)37(65)29(20-58)75-49)42(41(69)43(79-51)46(70)71)78-50-44(36(64)28(61)22-74-50)80-48-39(67)35(63)27(60)21-73-48/h10-11,26-45,48-51,58-69H,12-23H2,1-9H3,(H,70,71)/b24-10-/t26-,27-,28+,29+,30-,31+,32+,33-,34-,35+,36+,37-,38-,39-,40+,41+,42+,43+,44-,45-,48+,49-,50+,51-,54-,55+,56+,57-/m0/s1 |
InChIKey | BHKKNGSHLSYLPN-BVMYWLDVSA-N |
Mol Weight | 1159.3 g/mol |
Molecular Formula | C57H90O24 |
Exact Mass | 1158.582204 g/mol |
SpectraBase Spectrum ID | 7tjPIHqc7Va |
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Name | GORDONOSIDE_I;3-O-BETA-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]- |
Compound Number | 1 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C57H90O24 |
InChI | InChI=1S/C57H90O24/c1-10-24(2)47(72)76-34-19-52(3,4)17-26-25-11-12-31-54(7)15-14-33(53(5,6)30(54)13-16-55(31,8)56(25,9)18-32(62)57(26,34)23-59)77-51-45(81-49-40(68)38(66)37(65)29(20-58)75-49)42(41(69)43(79-51)46(70)71)78-50-44(36(64)28(61)22-74-50)80-48-39(67)35(63)27(60)21-73-48/h10-11,26-45,48-51,58-69H,12-23H2,1-9H3,(H,70,71)/b24-10-/t26-,27-,28+,29+,30-,31+,32+,33-,34-,35+,36+,37-,38-,39-,40+,41+,42+,43+,44-,45-,48+,49-,50+,51-,54-,55+,56+,57-/m0/s1 |
InChIKey | BHKKNGSHLSYLPN-BVMYWLDVSA-N |
Literature Reference Author | H.Z.FU,C.J.LI,J.Z.YANG,Z.F.SHEN,D.M.ZHANG |
Literature Reference Citation | J.NAT.PROD.,74,1066(2011) |
Literature Reference DOI | 10.1021/np200021f |
Molecular Weight | 1159.327 g/mol |
Sample ID | 38140 |
Solvent | C5D5N |