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MAJOR-NORMAL-CHAIN
SpectraBase Compound ID H9x4Dhln4ba
InChI InChI=1S/C45H89NO10/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-38(49)44(54)46-36(35-55-45-43(53)42(52)41(51)39(34-47)56-45)40(50)37(48)32-30-28-26-24-22-14-12-10-8-6-4-2/h36-43,45,47-53H,3-35H2,1-2H3,(H,46,54)/t36-,37-,38+,39-,40+,41-,42+,43-,45-/m0/s1
InChIKey YKXRYBDEVKVZKS-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 Gt4R3b4oWqP
Name MAJOR-NORMAL-CHAIN
Compound Number LLC-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H89NO10
InChI InChI=1S/C45H89NO10/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-38(49)44(54)46-36(35-55-45-43(53)42(52)41(51)39(34-47)56-45)40(50)37(48)32-30-28-26-24-22-14-12-10-8-6-4-2/h36-43,45,47-53H,3-35H2,1-2H3,(H,46,54)/t36-,37-,38+,39-,40+,41-,42+,43-,45-/m0/s1
InChIKey YKXRYBDEVKVZKS-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 46151
Solvent C5D5N