Dehydropachymic acid (Standard)

cas: 77012-31-8 — see every product listed under this CAS number, including other names

Dehydropachymic acid (Standard) (CAS 77012-31-8) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas77012-31-8
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Structural formula: {0} (CAS {1})

2-[(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-methyl-5-methylideneheptanoic acid (CAS 77012-31-8) is a chemical compound with the molecular formula C33H50O5 and a molecular weight of 526.7 g/mol. IUPAC name: 2-[(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-methyl-5-methylideneheptanoic acid. InChIKey: RWIALJIVPUCERT-MTHWCOGXSA-N.

Identity
Molecular formulaC33H50O5
Molecular weight526.7 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-methyl-5-methylideneheptanoic acid
InChIKeyRWIALJIVPUCERT-MTHWCOGXSA-N
SMILESCC(C)C(=C)CCC([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

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