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

HCID 44151996

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 85153-86-2
Standard SMILES: Cc1c(C)c2c(c(C)c1OC(=O)[C@@H]1CCC(=O)N1)CCC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
InChIKey: QAOJIFDDCZMUON-KANMBENISA-N
Molecular formula: C34H55NO4
Average molar mass: 541.8 g/mol
Monoisotopic mass: 541.41310924

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 5-oxo-L-prolinate
IUPAC: [2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] (2S)-5-oxopyrrolidine-2-carboxylate
English name: [2R-[2R*(4R*,8R*)]]-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl 5-oxo-L-prolinate
Molecular formula: C34H55NO4
Molecular weight: 541.81

Names & synonyms

85153-86-2EINECS 285-871-7(2R-(2R*(4R*,8R*)))-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl 5-oxo-L-prolinateQAOJIFDDCZMUON-KANMBENISA-NDTXSID1010056002,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl (2S)-5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate5-Oxo-L-proline [(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran]-6-yl ester[2R-[2R*(4R*,8R*)]]-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl 5-oxo-L-prolinateL-Proline, 5-oxo-, (2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl ester (9CI)

Database identifiers

CAS: 85153-86-2
PubChem CID

Properties

Computed structural properties

XLogP: 10.2
Topological polar surface area: 64.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 15
Heavy atoms: 39
Formal charge: 0
Complexity: 783

Physicochemical properties

Boiling point: 650.882 · 650.882±55.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.005 · 1.005±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka: 14.498 · 14.498±0.40(predicted)

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…