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1.beta.-Acevaltratum
SpectraBase Compound ID 2cF8yJsMLlq
InChI InChI=1S/C24H32O10/c1-13(2)7-19(27)32-18-8-17-16(10-29-14(3)25)11-30-22(21(17)24(18)12-31-24)33-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3
InChIKey WQKBMPNNRRZQLG-UHFFFAOYSA-N
Mol Weight 480.5 g/mol
Molecular Formula C24H32O10
Exact Mass 480.199547 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2y4mu2lr6G
Name Butanoic acid, 3-(acetyloxy)-3-methyl-, 4-[(acetyloxy)methyl]-6,7a-dihydro-1-(3-methyl-1-oxobutoxy)spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-6-yl ester, [1S-(1.alpha.,6.alpha.,7.beta.,7a.alpha.)]-
CAS Registry Number 25161-41-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32O10
InChI InChI=1S/C24H32O10/c1-13(2)7-19(27)32-18-8-17-16(10-29-14(3)25)11-30-22(21(17)24(18)12-31-24)33-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3
InChIKey WQKBMPNNRRZQLG-UHFFFAOYSA-N
Molecular Weight 480.510 g/mol
SMILES CC(C)CC(=O)OC1C=C2C(C11CO1)C(OC=C2COC(=O)C)OC(=O)CC(C)(C)OC(=O)C
SPLASH splash10-052f-9100000000-c6f3b09ce1fc69cee4c2
Source of Spectrum W6-37341-28195-0
Synonyms 1,7a-Dihydro-1,6-dihydroxyspiro[cyclopenta[c]pyran-7(6H), 2'-oxirane]-4-methanol 4-acetate 1(or 6)-isovalerate 6(or 1)-(3-hydroxy-3-methylbutyrate, acetate) Acetovaltrate Acetoxyvaltrate Acetyloxyvalepotriate Acevaltrat Acevaltrate Acevaltratum Isovaleric acid, ester with (6,7a.alpha.-dihydro-1.alpha.,6.beta.-dihydroxyspiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-4-yl)methyl acetate 3-hydroxy-3-methylbutyrate acetate 3-Acetyloxy-3-methylbutanoic acid [4-(acetyloxymethyl)-6-(3-methyl-1-oxobutoxy)-1-spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]yl] ester [4-(acetyloxymethyl)-6-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-1-yl] 3-acetyloxy-3-methylbutanoate [4-(acetoxymethyl)-6-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-1-yl] 3-acetoxy-3-methyl-butanoate [4-(acetyloxymethyl)-6-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-1-yl] 3-acetyloxy-3-methyl-butanoate
Wiley ID 125173