28-Acetylbetulin

cas: 27686-35-7 — see every product listed under this CAS number, including other names

28-Acetylbetulin (CAS 27686-35-7) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 50mg, 100mg. Offered by: Biosynth.

brandBiosynth
catalog numberCBA68635-25mg
cas27686-35-7
size25mg
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properties

categoryLife Sciences
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl acetate (CAS 27686-35-7) is a chemical compound with the molecular formula C32H52O3 and a molecular weight of 484.8 g/mol. IUPAC name: [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl acetate. InChIKey: PNDHMMQVMNVWPV-VFUWXHBOSA-N.

Identity
Molecular formulaC32H52O3
Molecular weight484.8 g/mol
IUPAC name[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl acetate
InChIKeyPNDHMMQVMNVWPV-VFUWXHBOSA-N
SMILESCC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)COC(=O)C

Computed by PubChem (NCBI)

Synonyms: 28-Acetylbetulin, Betulin 28-acetate, 28-O-acetylbetulin, orb1693845
Isomers (same molecular formula)
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] tridecanoate C32H52O3
[17-(5-hydroxy-6-methylhept-6-en-2-yl)-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C32H52O3
[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate C32H52O3
[(3S,5R,8R,9R,10R,13R,14R,17S)-17-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C32H52O3
[(3S,6R,8S,11R,12S,15S,16R,19R,21R)-19-hydroxy-3,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-enyl] acetate C32H52O3

Also listed as

28–Acetylbetulin GLPBio CAS 27686-35-7
28-O-Acetylbetulin MedChemExpress CAS 27686-35-7