Products 1520093-57-5

CAS 1520093-57-5 appears in our catalog under these names: Conicasterol Related Compound 2, (3beta,6alpha,12beta,20E,22E)-3,6,12-Trihydroxy-27-Nordammara-20(22),23-dien-25-one. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 25mg.

Conicasterol Related Compound 2
Chemat Brand
  • size: on request
  • Variants: 1
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(3beta,6alpha,12beta,20E,22E)-3,6,12-Trihydroxy-27-Nordammara-20(22),23-dien-25-one
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(3E,5E)-6-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hepta-3,5-dien-2-one (CAS 1520093-57-5) is a chemical compound with the molecular formula C29H46O4 and a molecular weight of 458.7 g/mol. IUPAC name: (3E,5E)-6-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hepta-3,5-dien-2-one. InChIKey: SXRHEPGWQMFCLZ-HDTLITMVSA-N.

Identity
Molecular formulaC29H46O4
Molecular weight458.7 g/mol
IUPAC name(3E,5E)-6-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hepta-3,5-dien-2-one
InChIKeySXRHEPGWQMFCLZ-HDTLITMVSA-N
SMILESCC(=O)/C=C/C=C(\C)/[C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)O)C

Computed by PubChem (NCBI)

Synonyms: 27-demethyl-(E,E)-20(22),23-dien-3b,6a,12b-trihydroxydammar-25-one, 27-demethyl-(E,E)-20(22),23-dien-3beta,6alpha,12beta-trihydroxydammar-25-one
Isomers (same molecular formula)
[(7R,8R,9S,10R,13S,14S,17S)-7-(9-hydroxynonyl)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C29H46O4
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid C29H46O4
[(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxycyclohexyl] acetate C29H46O4
ethyl (5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoate C29H46O4