Cyclocarioside K

cas: 2093058-16-1 — see every product listed under this CAS number, including other names

Cyclocarioside K (CAS 2093058-16-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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

3-[(3S,3aR,4R,5aR,6S,7S,9aR,9bR)-3-[(2S,4E)-2-hydroxy-6-methylhepta-4,6-dien-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid (CAS 2093058-16-1) is a chemical compound with the molecular formula C36H58O8 and a molecular weight of 618.8 g/mol. IUPAC name: 3-[(3S,3aR,4R,5aR,6S,7S,9aR,9bR)-3-[(2S,4E)-2-hydroxy-6-methylhepta-4,6-dien-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid. InChIKey: KISITYOUWLWLNJ-UNLKPDQESA-N.

Identity
Molecular formulaC36H58O8
Molecular weight618.8 g/mol
IUPAC name3-[(3S,3aR,4R,5aR,6S,7S,9aR,9bR)-3-[(2S,4E)-2-hydroxy-6-methylhepta-4,6-dien-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
InChIKeyKISITYOUWLWLNJ-UNLKPDQESA-N
SMILESC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2C[C@H]3[C@@](CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)([C@]4([C@H]2[C@H](CC4)[C@](C)(C/C=C/C(=C)C)O)C)C)O)O)O

Computed by PubChem (NCBI)

Synonyms: orb2563967
Isomers (same molecular formula)
(2R,3R,4S,5R,6R)-2-[[(3S,4R,4aR,6aR,6bS,8R,8aS,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-6-methyloxane-3,4,5-triol C36H58O8
(2R,3R,4S,5R,6R)-2-[[(1S,2S,4S,5R,8R,9S,10R,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxane-3,4,5-triol C36H58O8
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate C36H58O8
(2R,3R,4S,5R,6R)-2-[[(1S,2S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxane-3,4,5-triol C36H58O8
(2R,3R,4S,5R,6R)-2-[[(3S,4R,4aR,6aR,6bS,8S,8aS,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-6-methyloxane-3,4,5-triol C36H58O8
(2R,3R,4S,5R,6R)-2-[[(3S,4R,4aR,6aS,6bR,8S,8aS,12aS,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a-dodecahydropicen-3-yl]oxy]-6-methyloxane-3,4,5-triol C36H58O8

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