Demethylregelin

cas: 173991-81-6 — see every product listed under this CAS number, including other names

Demethylregelin (CAS 173991-81-6) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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catalog numberHY-N1695-Get quote
cas173991-81-6
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Structural formula: {0} (CAS {1})

(1R,2R,4S,4aR,6aR,6aS,6bR,8aR,12aR,14bS)-4-hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-2-carboxylic acid (CAS 173991-81-6) is a chemical compound with the molecular formula C30H46O4 and a molecular weight of 470.7 g/mol. IUPAC name: (1R,2R,4S,4aR,6aR,6aS,6bR,8aR,12aR,14bS)-4-hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-2-carboxylic acid. InChIKey: QGMNTKNSMLYTKS-BHHXOIJJSA-N.

Identity
Molecular formulaC30H46O4
Molecular weight470.7 g/mol
IUPAC name(1R,2R,4S,4aR,6aR,6aS,6bR,8aR,12aR,14bS)-4-hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
InChIKeyQGMNTKNSMLYTKS-BHHXOIJJSA-N
SMILESC[C@H]1[C@@H](C[C@@H]([C@]2([C@@H]1C3=CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C)O)C(=O)O

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