SpectraBase Compound ID | 6WDz3FYFF9S |
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InChI | InChI=1S/C69H112O34/c1-26-38(74)54(101-58-48(84)43(79)34(25-93-58)97-59-51(87)46(82)53(32(21-71)96-59)100-57-47(83)39(75)29(72)22-90-57)52(88)61(94-26)102-55-40(76)30(73)23-91-62(55)99-37-12-13-66(6)35(65(37,4)5)11-14-68(8)36(66)10-9-27-28-19-64(2,3)15-17-69(28,18-16-67(27,68)7)63(89)103-60-50(86)45(81)42(78)33(98-60)24-92-56-49(85)44(80)41(77)31(20-70)95-56/h9,26,28-62,70-88H,10-25H2,1-8H3/t26-,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39+,40-,41+,42+,43-,44-,45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58-,59-,60-,61-,62-,66?,67?,68?,69-/m0/s1 |
InChIKey | REHKXYHSPOHRPZ-OOCJVAAQSA-N |
Mol Weight | 1485.6 g/mol |
Molecular Formula | C69H112O34 |
Exact Mass | 1484.703501 g/mol |
SpectraBase Spectrum ID | 1xZqku0tRMg |
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Name | HOOKEROSIDE-B;3-O-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-XYLOPY |
Compound Number | 6 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C69H112O34 |
InChI | InChI=1S/C69H112O34/c1-26-38(74)54(101-58-48(84)43(79)34(25-93-58)97-59-51(87)46(82)53(32(21-71)96-59)100-57-47(83)39(75)29(72)22-90-57)52(88)61(94-26)102-55-40(76)30(73)23-91-62(55)99-37-12-13-66(6)35(65(37,4)5)11-14-68(8)36(66)10-9-27-28-19-64(2,3)15-17-69(28,18-16-67(27,68)7)63(89)103-60-50(86)45(81)42(78)33(98-60)24-92-56-49(85)44(80)41(77)31(20-70)95-56/h9,26,28-62,70-88H,10-25H2,1-8H3/t26-,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39+,40-,41+,42+,43-,44-,45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58-,59-,60-,61-,62-,66?,67?,68?,69-/m0/s1 |
InChIKey | REHKXYHSPOHRPZ-OOCJVAAQSA-N |
Literature Reference Author | J.TIAN,F.E.WU,M.H.QIU,R.L.NIE |
Literature Reference Citation | PHYTOCHEM.,32,1535(1993) |
Literature Reference DOI | 10.1016/0031-9422(93)85174-P |
Molecular Weight | 1485.628 g/mol |
Solvent | C5D5N |
Source File Reference | UWLU6625 |