SpectraBase Compound ID | 2q11ZHrvelI |
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InChI | InChI=1S/C48H76O37/c49-1-10(54)31-32(11(55)6-68-31)79-43-25(62)36(20(57)13(3-51)73-43)83-47-29(66)40-34(17(77-47)8-70-40)81-45-27(64)38(22(59)15(5-53)75-45)85-48-30(67)41-35(18(78-48)9-71-41)82-44-26(63)37(21(58)14(4-52)74-44)84-46-28(65)39-33(16(76-46)7-69-39)80-42-24(61)23(60)19(56)12(2-50)72-42/h10-67H,1-9H2/t10?,11-,12+,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24+,25+,26+,27+,28-,29-,30-,31-,32+,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1 |
InChIKey | XLTPHDIRZKYMQD-LIZPNXDYSA-N |
Mol Weight | 1245.1 g/mol |
Molecular Formula | C48H76O37 |
Exact Mass | 1244.406543 g/mol |
SpectraBase Spectrum ID | on9DZX986h |
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Name | AGAROBIITOL, OLIGOMERHOMOLOG 3 |
Comments | 95 |
Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C48H76O37 |
InChI | InChI=1S/C48H76O37/c49-1-10(54)31-32(11(55)6-68-31)79-43-25(62)36(20(57)13(3-51)73-43)83-47-29(66)40-34(17(77-47)8-70-40)81-45-27(64)38(22(59)15(5-53)75-45)85-48-30(67)41-35(18(78-48)9-71-41)82-44-26(63)37(21(58)14(4-52)74-44)84-46-28(65)39-33(16(76-46)7-69-39)80-42-24(61)23(60)19(56)12(2-50)72-42/h10-67H,1-9H2/t10?,11-,12+,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24+,25+,26+,27+,28-,29-,30-,31-,32+,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1 |
InChIKey | XLTPHDIRZKYMQD-LIZPNXDYSA-N |
Instrument Name | Bruker AM-300 |
Literature Reference | A.I.USOV, M.YA.ELASHVILI (1991) Bioorganich.Khim.(Russ. Lang.): v.17, N6, 839-848. |
NMR Standard | CH3OH |
Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
Solvent | D2O |