Methyl (4aS,6aR,6bR,8aR,10S,12aR,12bR,14aR,14bS)–10–acetoxy–2,2,6a,6b,9,9,12a–heptamethyl–14–oxoicosahydropicene–4a(2H)–carboxylate

cas: 25493-94-1 — see every product listed under this CAS number, including other names

Methyl (4aS,6aR,6bR,8aR,10S,12aR,12bR,14aR,14bS)–10–acetoxy–2,2,6a,6b,9,9,12a–heptamethyl–14–oxoicosahydropicene–4a(2H)–carboxylate (CAS 25493-94-1) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 1g, 250mg. Offered by: GLPBio.

brandGLPBio
catalog numberGB59361-100
cas25493-94-1
size100mg
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Available pack sizes

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GLPBio 100mg 1247.63 Pln
GLPBio 1g 3194.72 Pln
GLPBio 250mg 1804.61 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Methyl (4aS,6aR,6bR,10S,12aR,14aR,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-14-oxo-3,4,5,6,6a,7,8,8a,10,11,12,13,14a,14b-tetradecahydro-1H-picene-4a-carboxylate (CAS 25493-94-1) is a chemical compound with the molecular formula C33H52O5 and a molecular weight of 528.8 g/mol. IUPAC name: methyl (4aS,6aR,6bR,10S,12aR,14aR,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-14-oxo-3,4,5,6,6a,7,8,8a,10,11,12,13,14a,14b-tetradecahydro-1H-picene-4a-carboxylate. InChIKey: WJXGKADQKHUESG-AFFXIZASSA-N.

Identity
Molecular formulaC33H52O5
Molecular weight528.8 g/mol
IUPAC namemethyl (4aS,6aR,6bR,10S,12aR,14aR,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-14-oxo-3,4,5,6,6a,7,8,8a,10,11,12,13,14a,14b-tetradecahydro-1H-picene-4a-carboxylate
InChIKeyWJXGKADQKHUESG-AFFXIZASSA-N
SMILESCC(=O)O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2CC(=O)[C@H]4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)C)C

Computed by PubChem (NCBI)

Synonyms: Methyl (3beta,5zeta,9zeta,18alpha)-3-acetoxy-12-oxooleanan-28-oate
Isomers (same molecular formula)
(2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid C33H52O5
(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14R,14aR,14bS)-3-acetyloxy-14-methoxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid C33H52O5
(1R,2S,5S,8R,9R,10S,14R,15R,17R,21S,23R)-9-hydroxy-1,2,8,9,15,19,19,22,22-nonamethyl-18,20-dioxahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacos-11-ene-5-carboxylic acid C33H52O5
methyl (1R,3aS,5aS,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-acetyloxy-5a-(hydroxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate C33H52O5
(3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bS)-3-acetyloxy-14-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid C33H52O5

Also listed as

(4aS,6aR,6bR,10S,12aR,14aR,14bR)-methyl 10-acetoxy-2,2,6a,6b,9,9,12a-heptamethyl-14-oxo-docosahydropicene-4a-carboxylate, 98%, 98% Chemat CAS 25493-94-1
Methyl (4aS,6aR,6bR,8aR,10S,12aR,12bR,14aR,14bS)-10-acetoxy-2,2,6a,6b,9,9,12a-heptamethyl-14-oxoicosahydropicene-4a(2H)-carboxylate, 98% Fluorochem CAS 25493-94-1