6beta-(Hexa-2,4-dienoyloxy)-9alpha,12-dihydroxydrimenol

cas: 1136245-81-2 — see every product listed under this CAS number, including other names

6beta-(Hexa-2,4-dienoyloxy)-9alpha,12-dihydroxydrimenol (CAS 1136245-81-2) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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

[(1R,4S,4aS,8aS)-4-hydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] (2E,4E)-hexa-2,4-dienoate (CAS 1136245-81-2) is a chemical compound with the molecular formula C21H32O5 and a molecular weight of 364.5 g/mol. IUPAC name: [(1R,4S,4aS,8aS)-4-hydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] (2E,4E)-hexa-2,4-dienoate. InChIKey: FABFALSQMFMAOA-YWDBKMQWSA-N.

Identity
Molecular formulaC21H32O5
Molecular weight364.5 g/mol
IUPAC name[(1R,4S,4aS,8aS)-4-hydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] (2E,4E)-hexa-2,4-dienoate
InChIKeyFABFALSQMFMAOA-YWDBKMQWSA-N
SMILESC/C=C/C=C/C(=O)O[C@@H]1C=C([C@@]([C@@]2([C@@H]1C(CCC2)(C)C)C)(CO)O)CO

Computed by PubChem (NCBI)

Synonyms: 6beta-(Hexa-2,4-dienoyloxy)-9alpha,12-dihydroxydrimenol, orb1681354, ACon1_001818, 6??-(Hexa-2,4-dienoyloxy)-9??,12-dihydroxydrimenol
Isomers (same molecular formula)
(8S,9S,10R,11S,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O5
(3R,5R,8S,9S,10S,13R,14S,17S)-3-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one C21H32O5
1-[(1R,2S,5S,6S,9R,11R,14S,15S,16S)-11,18-dihydroxy-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecan-2-yl]-2-hydroxyethanone C21H32O5
(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one C21H32O5
(8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O5
(5R,8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O5
(5S,8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O5
(3R,5S,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one C21H32O5
(5S,8S,9S,10S,11S,13S,14S,17R)-1,2,4,5-tetradeuterio-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one C21H32O5
(3R,5R,8S,9S,10S,13S,14S,17R)-9,12,12-trideuterio-17-(2,2-dideuterio-2-hydroxyacetyl)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-one C21H32O5
2-hydroxy-1-[(3S,8S,9S,10R,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone C21H32O5
1-[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-8,9,14-trihydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]ethanone C21H32O5

Also listed as

6β–(Hexa–2，4–dienoyloxy)–9α，12–dihydroxydrimenol GLPBio CAS 1136245-81-2
6β-(Hexa-2,4-dienoyloxy)-9α,12-dihydroxydrimenol Biosynth CAS 1136245-81-2

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