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4'-O-Methylkampfaerol-3-O-[(4",13''')-2"'.6"',10"',14"'-tetramethylhexadecan-13"'-olyl]-.beta.-glucopyranoside
SpectraBase Compound ID LTJh9p2XUm6
InChI InChI=1S/C42H62O11/c1-8-27(6)32(20-15-26(5)14-10-13-25(4)12-9-11-24(2)3)50-40-34(23-43)52-42(38(48)37(40)47)53-41-36(46)35-31(45)21-29(44)22-33(35)51-39(41)28-16-18-30(49-7)19-17-28/h16-19,21-22,24-27,32,34,37-38,40,42-45,47-48H,8-15,20,23H2,1-7H3/t25?,26?,27?,32?,34-,37-,38-,40-,42+/m1/s1
InChIKey FPJVOZOBTKXSEN-NMEDLCEGSA-N
Mol Weight 742.9 g/mol
Molecular Formula C42H62O11
Exact Mass 742.429213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Hy13WqyMEB
Name 4'-O-Methylkampfaerol-3-O-[(4",13''')-2"'.6"',10"',14"'-tetramethylhexadecan-13"'-olyl]-.beta.-glucopyranoside
Alternate Name(s) 3-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,7,11,15-tetramethylhexadecan-4-yloxy)-2-oxanyl]oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-1-benzopyran-4-one 3-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,7,11,15-tetramethylhexadecan-4-yloxy)oxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one 3-[3,4-dihydroxy-6-(hydroxymethyl)-5-(4,8,12-trimethyl-1-sec-butyl-tridecoxy)tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one 3-[6-(hydroxymethyl)-3,4-bis(oxidanyl)-5-(3,7,11,15-tetramethylhexadecan-4-yloxy)oxan-2-yl]oxy-2-(4-methoxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
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Formula C42H62O11
InChI InChI=1S/C42H62O11/c1-8-27(6)32(20-15-26(5)14-10-13-25(4)12-9-11-24(2)3)50-40-34(23-43)52-42(38(48)37(40)47)53-41-36(46)35-31(45)21-29(44)22-33(35)51-39(41)28-16-18-30(49-7)19-17-28/h16-19,21-22,24-27,32,34,37-38,40,42-45,47-48H,8-15,20,23H2,1-7H3/t25?,26?,27?,32?,34-,37-,38-,40-,42+/m1/s1
InChIKey FPJVOZOBTKXSEN-NMEDLCEGSA-N
Molecular Weight 742.947 g/mol
SMILES Oc1cc(c2C(C(O[C@]3([C@@]([C@]([C@@]([C@](O3)(CO)[H])(OC(CCC(CCCC(CCCC(C)C)C)C)C(CC)C)[H])(O)[H])(O)[H])[H])=C(Oc2c1)c1ccc(cc1)OC)=O)O
SPLASH splash10-0072-1924000000-f10194e453f41abef525
Source of Spectrum G4-72-619-2
Wiley ID 1702068