Ketohakonanol

cas: 18004-20-1 — see every product listed under this CAS number, including other names

Ketohakonanol (CAS 18004-20-1) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 10mg, 25mg, 50mg, Get quote. Offered by: GLPBio, Biosynth, MedChemExpress.

brandGLPBio
catalog numberGF10448-5mg
cas18004-20-1
size5mg
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Available pack sizes

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GLPBio 5mg 2623.70 Pln
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properties

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

(4S,4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-4-hydroxy-4,6a,6b,9,9,12a,14b-heptamethyl-2,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydro-1H-picen-3-one (CAS 18004-20-1) is a chemical compound with the molecular formula C29H48O2 and a molecular weight of 428.7 g/mol. IUPAC name: (4S,4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-4-hydroxy-4,6a,6b,9,9,12a,14b-heptamethyl-2,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydro-1H-picen-3-one. InChIKey: WQSYKNUUKPIYHA-DDEAWHBVSA-N.

Identity
Molecular formulaC29H48O2
Molecular weight428.7 g/mol
IUPAC name(4S,4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-4-hydroxy-4,6a,6b,9,9,12a,14b-heptamethyl-2,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydro-1H-picen-3-one
InChIKeyWQSYKNUUKPIYHA-DDEAWHBVSA-N
SMILESC[C@]12CCC(=O)[C@@]([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)(C)O

Computed by PubChem (NCBI)

Synonyms: Ketohakonanol, orb1682260
Isomers (same molecular formula)
2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol C29H48O2
(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol C29H48O2
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C29H48O2
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C29H48O2
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-hydroxy-5-propan-2-ylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol C29H48O2
(5S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione C29H48O2
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one C29H48O2
1-[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]ethanone C29H48O2
(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol C29H48O2
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one C29H48O2
(1S,3R,6S,7S,8S,11S,12S,15R,16R)-15-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol C29H48O2
(6R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C29H48O2