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.beta.-D-Mannopyranoside, (2S,3R)-2,3,4-trihydroxybutyl, 4,6-diacetate 2-hexanoate 3-tetradecanoate, 3ac derivative

View entire compound with spectra: 1 NMR

.beta.-D-Mannopyranoside, (2S,3R)-2,3,4-trihydroxybutyl, 4,6-diacetate 2-hexanoate 3-tetradecanoate, 3ac derivative
SpectraBase Compound ID BAfJMZZHdxi
InChI InChI=1S/C40H66O16/c1-8-10-12-13-14-15-16-17-18-19-21-23-35(46)55-38-37(53-31(7)45)34(26-49-28(4)42)54-40(39(38)56-36(47)22-20-11-9-2)50-25-33(52-30(6)44)32(51-29(5)43)24-48-27(3)41/h32-34,37-40H,8-26H2,1-7H3/t32-,33+,34-,37-,38+,39+,40-/m1/s1
InChIKey SBJAHZUARRAIPJ-MTHZZHOJSA-N
Mol Weight 803.0 g/mol
Molecular Formula C40H66O16
Exact Mass 802.435086 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 34ZlLilhxtd
Name .beta.-D-Mannopyranoside, (2S,3R)-2,3,4-trihydroxybutyl, 4,6-diacetate 2-hexanoate 3-tetradecanoate, 3ac derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 802.435086029 u
Formula C40H66O16
InChI InChI=1S/C40H66O16/c1-8-10-12-13-14-15-16-17-18-19-21-23-35(46)55-38-37(53-31(7)45)34(26-49-28(4)42)54-40(39(38)56-36(47)22-20-11-9-2)50-25-33(52-30(6)44)32(51-29(5)43)24-48-27(3)41/h32-34,37-40H,8-26H2,1-7H3/t32-,33+,34-,37-,38+,39+,40-/m1/s1
InChIKey SBJAHZUARRAIPJ-MTHZZHOJSA-N
Molecular Weight 802.952 g/mol
SMILES [C@@]1(OC[C@@]([C@@](COC(=O)C)(OC(=O)C)[H])(OC(=O)C)[H])([C@]([C@]([C@@]([C@](O1)(COC(C)=O)[H])(OC(C)=O)[H])(OC(CCCCCCCCCCCCC)=O)[H])(OC(CCCCC)=O)[H])[H]