Anicequol

cas: 440368-05-8 — see every product listed under this CAS number, including other names

Anicequol (CAS 440368-05-8) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-N13886-Get quote
cas440368-05-8
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properties

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purityno data
Structural formula: {0} (CAS {1})

Anicequol is an ergostanoid.

Source: ChEBI

Identity
Molecular formulaC30H48O6
Molecular weight504.7 g/mol
IUPAC name[(3S,5S,7R,8S,9S,10R,11S,13S,14S,16S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,7,11-trihydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
InChIKeyLWMKDRSIMLTGDK-TZEVRYHJSA-N
SMILESC[C@H](/C=C/[C@H](C)C(C)C)[C@H]1[C@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2[C@H](C(=O)[C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)O)C)OC(=O)C

Computed by PubChem (NCBI)

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