Kadsuric acid 3-Me ester

cas: 1041070-16-9 — see every product listed under this CAS number, including other names

Kadsuric acid 3-Me ester (CAS 1041070-16-9) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas1041070-16-9
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Structural formula: {0} (CAS {1})

(Z,6R)-6-[(3R,3aR,6S,7S,9aS,9bS)-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid (CAS 1041070-16-9) is a chemical compound with the molecular formula C31H48O4 and a molecular weight of 484.7 g/mol. IUPAC name: (Z,6R)-6-[(3R,3aR,6S,7S,9aS,9bS)-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid. InChIKey: NLLYXLDQSXMKSE-ABXAZKELSA-N.

Identity
Molecular formulaC31H48O4
Molecular weight484.7 g/mol
IUPAC name(Z,6R)-6-[(3R,3aR,6S,7S,9aS,9bS)-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
InChIKeyNLLYXLDQSXMKSE-ABXAZKELSA-N
SMILESC[C@H](CC/C=C(/C)\C(=O)O)[C@H]1CC[C@@]2([C@@]1(CC=C3[C@H]2CC[C@H]([C@]3(C)CCC(=O)OC)C(=C)C)C)C

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