11-{[(1-Acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl)(hydroxy)methylidene]amino}undecanoic acid

HCID 463526

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Basic information

HCID 463526

Completing data — refresh the page later to see the latest

Standard SMILES

CC(=O)[C@@H]1CC[C@]2(C(=O)NCCCCCCCCCCC(=O)O)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

InChIKey

GAVBICAHSHTFPO-QPPLJHNISA-N

Molecular formula

C40H67NO5

Average molar mass

641.978 g/mol

Monoisotopic mass

641.50192424

Preferred name: 11-{[(1-Acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl)(hydroxy)methylidene]amino}undecanoic acid
IUPAC: 11-({[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bS)-1-Acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl](hydroxy)methylidene}amino)undecanoic acid

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