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Valtratum

View entire compound with spectra: 4 NMR, and 2 MS (GC)

Valtratum
SpectraBase Compound ID JhxY0t0FeMq
InChI InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3
InChIKey BDIAUFOIMFAIPU-UHFFFAOYSA-N
Mol Weight 422.47 g/mol
Molecular Formula C22H30O8
Exact Mass 422.194068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJmbPD7XWeo
Name 1,7a-Dihydro-1,6-dihydroxyspiro[cyclopenta[c]pyran-7-(6H),2'-oxirane]-4-methanol 4-acetate 1,6-diisovalerate
CAS Registry Number 18296-44-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O8
InChI InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3
InChIKey BDIAUFOIMFAIPU-UHFFFAOYSA-N
Molecular Weight 422.474 g/mol
SMILES CC(C)CC(=O)OC1C=C2C(C11CO1)C(OC=C2COC(=O)C)OC(=O)CC(C)C
SPLASH splash10-052f-9400000000-fd6769cc0f1077d837f1
Source of Spectrum W6-35503-30033-0
Synonyms 3a,4-dihydro-3,4-dihydroxyspiro(benzofuran-2(3H),2'-oxirane)-6-methanol 6-acetate 3,4-diisovalerate 4-Acetoxymethyl-1,6,7,7a-tetrahydro-1,6-bis(isovaleryloxy)cyclopenta(c)pyran-7-spiro-2'-oxiran Baldrisedon Butanoic acid, 3-methyl-, 4-((acetyloxy)methyl)-6,7a-dihydrospiro(cyclopenta(c)pyran-7(1H),2'-oxirane)-1,6-diyl ester, (1S-(1-alpha,6-alpha,7-beta,7a-alpha))- Halazuchrome B Spiro[cyclopenta[c]pyran-7(1H),2'-oxirane], butanoic acid deriv. Valepotriate Valtrate Valtrato Valtrats Valtratum 3-Methylbutanoic acid [4-(acetyloxymethyl)-1-(3-methyl-1-oxobutoxy)-6-spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]yl] ester [4-(acetoxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate [4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate CCRIS 5795 EINECS 242-174-2
Wiley ID 133907