3,4-Secotirucalla-4(28,7,24-triene-3),26-dioic acid

cas: 159623-48-0 — see every product listed under this CAS number, including other names

3,4-Secotirucalla-4(28,7,24-triene-3),26-dioic acid (CAS 159623-48-0) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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

(Z,6S)-6-[(3S,3aS,5aR,6S,7S,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid (CAS 159623-48-0) is a chemical compound with the molecular formula C30H46O4 and a molecular weight of 470.7 g/mol. IUPAC name: (Z,6S)-6-[(3S,3aS,5aR,6S,7S,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid. InChIKey: VGVAABHRCNAZRM-UKFNWJJFSA-N.

Identity
Molecular formulaC30H46O4
Molecular weight470.7 g/mol
IUPAC name(Z,6S)-6-[(3S,3aS,5aR,6S,7S,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
InChIKeyVGVAABHRCNAZRM-UKFNWJJFSA-N
SMILESC[C@@H](CC/C=C(/C)\C(=O)O)[C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C

Computed by PubChem (NCBI)

Synonyms: 3,4-Secotirucalla-4(28),7,24-triene-3,26-dioic acid, 3,4-Secotirucalla-4(28,7,24-triene-3),26-dioic acid, orb1683649
Isomers (same molecular formula)
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid C30H46O4
(2R)-2-[(5R,9R,10R,13S,14S,16S,17S)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid C30H46O4
(9R,10R,13S,14S,17R)-17-[(2R)-2-[(1R,2S)-1,3-dihydroxy-2-methylpropyl]-2,3-dihydrofuran-4-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one C30H46O4
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid C30H46O4
(4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-formyl-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid C30H46O4
(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid C30H46O4
[(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-9-yl]methyl 2,2-dimethylpropanoate C30H46O4
(2S,3R,4aS,6aR,6aS,6bR,8aR,10S,12aS)-3,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-2-carboxylic acid C30H46O4
(4aS,6aR,6aS,6bR,8aR,10R,11R,12aS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-4a-carboxylic acid C30H46O4
(Z,6R)-6-[(1S,4R,5R,8S,9S,12S,13R)-13-(2-carboxyethyl)-4,8-dimethyl-12-prop-1-en-2-yl-5-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoic acid C30H46O4
(1S,2R,4S,6S,8R,12S,13S,14S,19R)-6-[(2R)-3,3-dimethyloxiran-2-yl]-12-hydroxy-1,2,8,14,18,18-hexamethyl-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-9-en-17-one C30H46O4
(1S,2R,4S,6S,8R,12S,13S,14S,19R)-12-hydroxy-6-[(1S)-1-hydroxy-2-methylprop-2-enyl]-1,2,8,14,18,18-hexamethyl-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-9-en-17-one C30H46O4

Also listed as

3,4-Secotirucalla-4(28),7,24-triene-3,26-dioic acid Biosynth CAS 159623-48-0

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