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2H-Pyran-2-octanoic acid, .beta.,.zeta.,4-tris(acetyloxy)tetrahydro-6-(2-methoxy-2-oxoethyl)-.g amma.,.eta.,5-trimethyl-, methyl ester
SpectraBase Compound ID 84KAsr56eN0
InChI InChI=1S/C26H42O11/c1-14(21(35-18(5)28)12-25(30)32-7)9-10-20(34-17(4)27)15(2)23-11-22(36-19(6)29)16(3)24(37-23)13-26(31)33-8/h14-16,20-24H,9-13H2,1-8H3
InChIKey MQERAFSFBOTWIH-UHFFFAOYSA-N
Mol Weight 530.6 g/mol
Molecular Formula C26H42O11
Exact Mass 530.272712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ORvSFJO8Ry
Name 2H-Pyran-2-octanoic acid, .beta.,.zeta.,4-tris(acetyloxy)tetrahydro-6-(2-methoxy-2-oxoethyl)-.g amma.,.eta.,5-trimethyl-, methyl ester
Alternate Name(s) 3,7-Anhydro-3,7-dihydroxy-5,9,13-triacetyl-4,8,12-trimethylpentadecandi-oic acid-dimethylester Methyl 5-O-acetyl-3,7-anhydro-7-[2,6-bis(acetyloxy)-8-methoxy-1,5-dimethyl-8-oxooctyl]-2,4,6-trideoxy-4-methylheptonate
CAS Registry Number 85888-08-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O11
InChI InChI=1S/C26H42O11/c1-14(21(35-18(5)28)12-25(30)32-7)9-10-20(34-17(4)27)15(2)23-11-22(36-19(6)29)16(3)24(37-23)13-26(31)33-8/h14-16,20-24H,9-13H2,1-8H3
InChIKey MQERAFSFBOTWIH-UHFFFAOYSA-N
Molecular Weight 530.611 g/mol
SMILES C1(OC(C(C(OC(=O)C)CCC(C(CC(=O)OC)OC(=O)C)C)C)CC(C1C)OC(=O)C)CC(=O)OC
SPLASH splash10-05n0-2943000000-b0fde316d43e6abb32c8
Source of Spectrum H-66-256-0
Wiley ID 1403306