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N-HEXADECANOYL-1-O-[ALPHA-D-GALACTOPYRANOSYL-(1->6)-ALPHA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-OCTADECASPHINGENINE
SpectraBase Compound ID F0noChN96PO
InChI InChI=1S/C52H97NO18/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(55)35(53-40(56)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-66-50-48(64)45(61)42(58)38(70-50)34-68-52-49(65)46(62)43(59)39(71-52)33-67-51-47(63)44(60)41(57)37(31-54)69-51/h27,29,35-39,41-52,54-55,57-65H,3-26,28,30-34H2,1-2H3,(H,53,56)/b29-27+/t35-,36+,37+,38+,39-,41-,42-,43+,44-,45-,46+,47+,48+,49-,50+,51-,52+/m0/s1
InChIKey BXLIEUQCBKBVTC-XFXHKKSLSA-N
Mol Weight 1024.3 g/mol
Molecular Formula C52H97NO18
Exact Mass 1023.670565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KHAUSZxMm3p
Name N-HEXADECANOYL-1-O-[ALPHA-D-GALACTOPYRANOSYL-(1->6)-ALPHA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-OCTADECASPHINGENINE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H97NO18
InChI InChI=1S/C52H97NO18/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(55)35(53-40(56)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-66-50-48(64)45(61)42(58)38(70-50)34-68-52-49(65)46(62)43(59)39(71-52)33-67-51-47(63)44(60)41(57)37(31-54)69-51/h27,29,35-39,41-52,54-55,57-65H,3-26,28,30-34H2,1-2H3,(H,53,56)/b29-27+/t35-,36+,37+,38+,39-,41-,42-,43+,44-,45-,46+,47+,48+,49-,50+,51-,52+/m0/s1
InChIKey BXLIEUQCBKBVTC-XFXHKKSLSA-N
Literature Reference Author N.NODA,R.TANAKA,K.MIYAHARA,T.SUKAMOTO
Literature Reference Citation CHEM.PHARM.BULL.,44,895(1996)
Literature Reference DOI 10.1248/cpb.44.895
Molecular Weight 1024.338 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWLU31358