(2R-(2R(4R,8R*)))-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl 2-acetoxybenzoate

HCID 150772

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Basic information

CAS: 34617-32-8
Standard SMILES: CC(=O)Oc1ccccc1C(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
InChIKey: ANTFEZADEMVYGA-DVEXYGBFSA-N
Molecular formula: C38H56O5
Average molar mass: 592.8 g/mol
Monoisotopic mass: 592.41277488

Names & identifiers

Preferred name: (2R-(2R*(4R*,8R*)))-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl 2-acetoxybenzoate
IUPAC: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] 2-acetyloxybenzoate

Names & synonyms

34617-32-8(2R-(2R*(4R*,8R*)))-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl 2-acetoxybenzoateEINECS 252-113-1alpha-Tocopheryl o-acetoxybenzoateSCHEMBL11067493DTXSID10188186ANTFEZADEMVYGA-DVEXYGBFSA-N(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl 2-(acetyloxy)benzoateNS00029698

Database identifiers

CAS: 34617-32-8
PubChem CID: 150772
DTXSID: DTXSID10188186
EC Number: 252-113-1
Nikkaji: J250.930J

Properties

Computed structural properties

XLogP: 12.2
Topological polar surface area: 61.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 17
Heavy atoms: 43
Formal charge: 0
Complexity: 855

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

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