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OCIMUMOSIDE_B;(2-S)-1-O-OCTADECANOYL-(2-O-TETRADECANOYL)-3-O-[ALPHA-D-GALACTOPYRANOSYL-(1''->6')-O-BETA-D-GALACTOPYRANOSYL]-GLYCEROL
SpectraBase Compound ID 8ZJLEXfS6hT
InChI InChI=1S/C47H88O15/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-38(49)57-32-35(60-39(50)30-28-26-24-22-19-14-12-10-8-6-4-2)33-58-46-45(56)43(54)41(52)37(62-46)34-59-47-44(55)42(53)40(51)36(31-48)61-47/h35-37,40-48,51-56H,3-34H2,1-2H3/t35-,36+,37-,40+,41+,42-,43+,44+,45-,46-,47-/m1/s1
InChIKey LGYCXVJXWRPVSQ-KWFXFAGHSA-N
Mol Weight 893.2 g/mol
Molecular Formula C47H88O15
Exact Mass 892.612322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IIxAHTZamLi
Name OCIMUMOSIDE_B;(2-S)-1-O-OCTADECANOYL-(2-O-TETRADECANOYL)-3-O-[ALPHA-D-GALACTOPYRANOSYL-(1''->6')-O-BETA-D-GALACTOPYRANOSYL]-GLYCEROL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H88O15
InChI InChI=1S/C47H88O15/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-38(49)57-32-35(60-39(50)30-28-26-24-22-19-14-12-10-8-6-4-2)33-58-46-45(56)43(54)41(52)37(62-46)34-59-47-44(55)42(53)40(51)36(31-48)61-47/h35-37,40-48,51-56H,3-34H2,1-2H3/t35-,36+,37-,40+,41+,42-,43+,44+,45-,46-,47-/m1/s1
InChIKey LGYCXVJXWRPVSQ-KWFXFAGHSA-N
Literature Reference Author P.GUPTA,D.K.YADAV,K.B.SIRIPURAPU,G.PALIT,R.MAURYA
Literature Reference Citation J.NAT.PROD.,70,1410(2007)
Literature Reference DOI 10.1021/np0700164
Molecular Weight 893.207 g/mol
Sample ID 31502
Solvent DMSO-D6