2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydro-2H,8H-pyrano[2,3-f]chromen-6-yl)ethanone 5432-73-5

Details:

Identification and Related Records
【Name】
2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydro-2H,8H-pyrano[2,3-f]chromen-6-yl)ethanone
【CAS Registry number】
5432-73-5
【Synonyms】
NSC21573
2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydro-2h,8h-pyrano[2,3-f]chromen-6-yl)ethanone
Dihydroisopomiferitin trimethyl ether
AC1L5GBL
AC1Q5GOB
AR-1C7100
NSC-21573
DIHYDROISOPOMIFERITIN, TRIMETHYL ETHER
2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-h]chromen-6-yl)ethanone
【Molecular Formula】
C27H34O6 (Products with the same molecular formula)
【Molecular Weight】
454.5553
【Inchi】
InChI=1/C27H34O6/c1-26(2)12-10-17-23(32-26)18-11-13-27(3,4)33-25(18)22(24(17)31-7)19(28)14-16-8-9-20(29-5)21(15-16)30-6/h8-9,15H,10-14H2,1-7H3
【Canonical SMILES】
CC1(CCC2=C3C(=C(C(=C2O1)C(=O)CC4=CC(=C(C=C4)OC)OC)OC)CCC(O3)(C)C)C
【MOL File】
5432-73-5.mol
Chemical and Physical Properties
【Density】
1.118g/cm3
【Boiling Point】
604.3°C at 760 mmHg
【Refractive Index】
1.537
【Flash Point】
257.6°C
【Computed Properties】
Molecular Weight:454.55526 [g/mol]
Molecular Formula:C27H34O6
XLogP3-AA:5.1
H-Bond Donor:0
H-Bond Acceptor:6
Rotatable Bond Count:6
Tautomer Count:2
Exact Mass:454.235539
MonoIsotopic Mass:454.235539
Topological Polar Surface Area:63.2
Heavy Atom Count:33
Formal Charge:0
Complexity:690
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:6
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:4
Effective Rotor Count:7.6
Conformer Sampling RMSD:1
CID Conformer Count:91