3α-Acetyl-20(29)-lupene-24-oic acid

cas: 412942-35-9 — see every product listed under this CAS number, including other names

3α-Acetyl-20(29)-lupene-24-oic acid (CAS 412942-35-9) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas412942-35-9
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Structural formula: {0} (CAS {1})

(1R,3aR,5aR,5bR,7aR,8R,9R,11aR,11bR,13aR,13bR)-9-acetyloxy-3a,5a,5b,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]chrysene-8-carboxylic acid (CAS 412942-35-9) is a chemical compound with the molecular formula C32H50O4 and a molecular weight of 498.7 g/mol. IUPAC name: (1R,3aR,5aR,5bR,7aR,8R,9R,11aR,11bR,13aR,13bR)-9-acetyloxy-3a,5a,5b,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]chrysene-8-carboxylic acid. InChIKey: DULLEXJVWYWBKQ-BRSKACALSA-N.

Identity
Molecular formulaC32H50O4
Molecular weight498.7 g/mol
IUPAC name(1R,3aR,5aR,5bR,7aR,8R,9R,11aR,11bR,13aR,13bR)-9-acetyloxy-3a,5a,5b,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]chrysene-8-carboxylic acid
InChIKeyDULLEXJVWYWBKQ-BRSKACALSA-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)O)OC(=O)C)C)C

Computed by PubChem (NCBI)

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