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Trichocarpin, pentaacetate
SpectraBase Compound ID 947VdesgGeo
InChI InChI=1S/C30H32O14/c1-16(31)37-15-25-26(40-18(3)33)27(41-19(4)34)28(42-20(5)35)30(44-25)43-24-12-11-22(39-17(2)32)13-23(24)29(36)38-14-21-9-7-6-8-10-21/h6-13,25-28,30H,14-15H2,1-5H3
InChIKey RTEOZSMRCXXCIE-UHFFFAOYSA-N
Mol Weight 616.6 g/mol
Molecular Formula C30H32O14
Exact Mass 616.179206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mKMRO0wE83
Name Trichocarpin, pentaacetate
CAS Registry Number 17019-77-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32O14
InChI InChI=1S/C30H32O14/c1-16(31)37-15-25-26(40-18(3)33)27(41-19(4)34)28(42-20(5)35)30(44-25)43-24-12-11-22(39-17(2)32)13-23(24)29(36)38-14-21-9-7-6-8-10-21/h6-13,25-28,30H,14-15H2,1-5H3
InChIKey RTEOZSMRCXXCIE-UHFFFAOYSA-N
Molecular Weight 616.572 g/mol
SMILES CC(=O)OCC1C(C(C(C(O1)Oc1ccc(cc1C(=O)OCc1ccccc1)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O
SPLASH splash10-0006-9700000000-c205c16f3fafd063a364
Source of Spectrum AD-0-1980-0
Synonyms Benzyl 5-(acetyloxy)-2-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]benzoate (phenylmethyl) 5-acetyloxy-2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-benzoate 5-Acetoxy-2-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-benzoic acid benzyl ester 5-Acetyloxy-2-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]benzoic acid (phenylmethyl) ester benzyl 5-acetoxy-2-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-benzoate benzyl 5-acetyloxy-2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybenzoate
Wiley ID 1411302