3α-Acetoxy-20-oxo-29-norlupane-23,28-dioic acid

cas: 262272-76-4 — see every product listed under this CAS number, including other names

3α-Acetoxy-20-oxo-29-norlupane-23,28-dioic acid (CAS 262272-76-4) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg, 25mg, 50mg. Offered by: Biosynth.

brandBiosynth
catalog numberMKA27276-10mg
cas262272-76-4
size10mg
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properties

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

(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bS)-1-acetyl-9-acetyloxy-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylic acid (CAS 262272-76-4) is a chemical compound with the molecular formula C31H46O7 and a molecular weight of 530.7 g/mol. IUPAC name: (1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bS)-1-acetyl-9-acetyloxy-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylic acid. InChIKey: HYMCMWIFWYXIRT-XGXSGSDFSA-N.

Identity
Molecular formulaC31H46O7
Molecular weight530.7 g/mol
IUPAC name(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bS)-1-acetyl-9-acetyloxy-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylic acid
InChIKeyHYMCMWIFWYXIRT-XGXSGSDFSA-N
SMILESCC(=O)[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)O)OC(=O)C)C)C(=O)O

Computed by PubChem (NCBI)

Synonyms: 3alpha-Acetoxy-20-oxo-29-norlupane-23,28-dioic acid, orb1683558, 3|_-Acetoxy-20-oxo-29-norlupane-23,28-dioic acid, 3|A-Acetoxy-20-oxo-29-norlupane-23,28-dioic acid, 3alpha-Acetoxy-20-oxo-29-norlupane-2328-dioic Acid, 3| cent-Acetoxy-20-oxo-29-norlupane-23,28-dioic acid, (3alpha,4alpha)-3-(Acetyloxy)-20-oxo-30-norlupane-23,28-dioic acid, 30-Norlupane-23,28-dioic acid, 3-(acetyloxy)-20-oxo-, (3|A,4|A)- (9CI), 30-Norlupane-23,28-dioic acid, 3-(acetyloxy)-20-oxo-, (3alpha,4alpha)- (9CI)
Isomers (same molecular formula)
(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-7-oxohept-5-enoic acid C31H46O7
methyl (E,4S,6R)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-hydroxy-2-methylhept-2-enoate C31H46O7
methyl (2R,6R)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate C31H46O7

Also listed as

3α-Acetoxy-20-oxo-29-norlupane-23,28-dioic acid MedChemExpress CAS 262272-76-4