3-O-Acetyl-16α-hydroxydehydrotrametenolic acid

cas: 168293-14-9 — see every product listed under this CAS number, including other names

3-O-Acetyl-16α-hydroxydehydrotrametenolic acid (CAS 168293-14-9) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 25mg, 10mg. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-N2989-5mg
cas168293-14-9
size5mg
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Structural formula: {0} (CAS {1})

3-o-acetyl-16alpha-hydroxydehydrotrametenolic acid is a triterpenoid.

Source: ChEBI

Identity
Molecular formulaC32H48O5
Molecular weight512.7 g/mol
IUPAC name2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
InChIKeyDLBLMTCYISHWGP-ZGWIZTTPSA-N
SMILESCC(=CCCC([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C)O)C(=O)O)C

Computed by PubChem (NCBI)

Synonyms: 3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid
Isomers (same molecular formula)
[(1S,2S,4S,5R,6S,9S,11R,14R,15S,18S,23R)-6,10,10,14,15,21,21-heptamethyl-25-oxo-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-9-yl] acetate C32H48O5
butyl 1-[(E,1R,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-hydroxypent-2-enyl]cyclopropane-1-carboxylate C32H48O5
(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-acetyloxy-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 C32H48O5
(E,6R)-6-[(3S,5R,10S,13R,14R,15S,17R)-15-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid C32H48O5
(2R)-2-[(2R,3R,3aR,6S,7S,9bR)-2-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid C32H48O5
(E,6R)-6-[(3R,5R,10S,13R,14R,15S,17R)-15-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid C32H48O5
[(1R)-1-[(1S,2R,4S,6S,8R,13S,14S,19R)-1,2,8,14,18,18-hexamethyl-17-oxo-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-9,11-dien-6-yl]-2-hydroxy-2-methylpropyl] acetate C32H48O5
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicene-4a-carboxylic acid C32H48O5
(E,5S,6S)-5-acetyloxy-6-[(3R,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid C32H48O5
(E)-6-(3-acetyloxy-15-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid C32H48O5
2-[(1E,3Z,7E,9E)-13-[5-(2-hydroxyethyl)-3,5-dimethyloxolan-2-yl]-3,5,9,11-tetramethyl-12-oxotetradeca-1,3,7,9-tetraenyl]-3-methyl-2,3-dihydropyran-6-one C32H48O5

Also listed as

3-o-Acetyl-16 alpha-hydroxydehydrotrametenolic acid Biosynth CAS 168293-14-9
3-O-Acetyl-16α-hydroxydehydrotrametenolic acid, ≥95% Chemat CAS 168293-14-9

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