Fasciculic acid A

cas: 126906-00-1 — see every product listed under this CAS number, including other names

Fasciculic acid A (CAS 126906-00-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas126906-00-1
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Structural formula: {0} (CAS {1})

5-[[(2R,3S,10S,13R,14R,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid (CAS 126906-00-1) is a chemical compound with the molecular formula C36H60O8 and a molecular weight of 620.9 g/mol. IUPAC name: 5-[[(2R,3S,10S,13R,14R,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid. InChIKey: VOAJMYUEWCGJID-WRHRTGNFSA-N.

Identity
Molecular formulaC36H60O8
Molecular weight620.9 g/mol
IUPAC name5-[[(2R,3S,10S,13R,14R,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
InChIKeyVOAJMYUEWCGJID-WRHRTGNFSA-N
SMILESC[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(C[C@H]([C@H](C4(C)C)O)OC(=O)CC(C)(CC(=O)O)O)C)C)C

Computed by PubChem (NCBI)

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