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MAJOR-ISO-CHAIN

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MAJOR-ISO-CHAIN
SpectraBase Compound ID 4cH9jtLb1eN
InChI InChI=1S/C45H89NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-38(49)44(54)46-36(34-55-45-43(53)42(52)41(51)39(33-47)56-45)40(50)37(48)31-28-25-22-20-19-21-24-27-30-35(2)3/h35-43,45,47-53H,4-34H2,1-3H3,(H,46,54)/t36-,37-,38+,39-,40+,41-,42+,43-,45-/m0/s1
InChIKey WEZNHIWHEVJNDO-MGMSOWKQSA-N
Mol Weight 804.2 g/mol
Molecular Formula C45H89NO10
Exact Mass 803.648648 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5UDfl7SVUvG
Name 1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3S,4R)-2-[(2R)-2-HYDROXYDOCOSANOYLAMINO]-15-METHYL-HEXADECANE-1,3,4-TRIOL;LLC-2-8
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H89NO10
InChI InChI=1S/C45H89NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-38(49)44(54)46-36(34-55-45-43(53)42(52)41(51)39(33-47)56-45)40(50)37(48)31-28-25-22-20-19-21-24-27-30-35(2)3/h35-43,45,47-53H,4-34H2,1-3H3,(H,46,54)/t36-,37-,38+,39-,40+,41-,42+,43-,45-/m0/s1
InChIKey WEZNHIWHEVJNDO-MGMSOWKQSA-N
Literature Reference Author T.MARUTA,T.SAITO,M.INAGAKI,O.SHIBATA,R.HIGUCHI
Literature Reference Citation CHEM.PHARM.BULL.,53,1255(2005)
Literature Reference DOI 10.1248/cpb.53.1255
Molecular Weight 804.202 g/mol
Sample ID 46155
Solvent C5D5N