Products 17187-79-0

CAS 17187-79-0 is the registry number for Nemerosin. Offered by: MedChemExpress. Available pack sizes: Get quote.

Nemerosin
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Structural formula: {0} (CAS {1})

(3Z)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-2-one (CAS 17187-79-0) is a chemical compound with the molecular formula C22H22O7 and a molecular weight of 398.4 g/mol. IUPAC name: (3Z)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-2-one. InChIKey: CJLVKDPRUXBTJQ-APSNUPSMSA-N.

Identity
Molecular formulaC22H22O7
Molecular weight398.4 g/mol
IUPAC name(3Z)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-2-one
InChIKeyCJLVKDPRUXBTJQ-APSNUPSMSA-N
SMILESCOC1=CC(=CC(=C1OC)OC)/C=C\2/C(COC2=O)CC3=CC4=C(C=C3)OCO4

Computed by PubChem (NCBI)

Synonyms: Nemerosin, orb1991223
Isomers (same molecular formula)
(5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one C22H22O7
[(3aR,5R,6S,6aR)-6-benzoyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl benzoate C22H22O7
(1S,20R,21R,22S)-9,12-dimethoxy-21,22-dimethyl-5,7,14,16,23-pentaoxahexacyclo[18.2.1.02,10.04,8.011,19.013,17]tricosa-2,4(8),9,11,13(17),18-hexaene C22H22O7
5,7-dihydroxy-2-[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-methoxychromen-4-one C22H22O7
5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-3,6-dimethoxychromen-4-one C22H22O7
[(3aR,5R,6R,6aR)-6-benzoyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl benzoate C22H22O7
[5'-(furan-3-yl)-8-methyl-3,9-dioxospiro[1,6a,8,10-tetrahydrobenzo[d][2]benzofuran-7,3'-oxolane]-2'-yl] acetate C22H22O7
4-(1,3-benzodioxol-5-yl)-5,6,7-trimethoxy-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one C22H22O7
3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-one C22H22O7
(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one C22H22O7
(5R,5aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one C22H22O7
[(2R,3R,4R)-4-hydroxy-4-methyl-3-(4-methylbenzoyl)oxy-5-oxooxolan-2-yl]methyl 4-methylbenzoate C22H22O7

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