Trilepisflavan

CAT: 0926-THC21816-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-THC21816-04Size:50 mg

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CAS Number

1443218-16-3

Smiles

COC1=C (C=C (C=C1) C2CCC3=C (O2) C=C (C=C3) O) OC

Molecular Formula

C17H18O4

Molecular Weight

286.32 g/mol

Controlled

Chemical Information

Trilepisflavan

CAS Number	1443218-16-3
PubChem CID	131848132
IUPAC Name	(2S)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Molecular Formula	C17H18O4
Molecular Weight	286.32
XLogP	3.4
Topological Polar Surface Area	47.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	335

SMILES

COC1=C(C=C(C=C1)[C@@H]2CCC3=C(O2)C=C(C=C3)O)OC

InChI

InChI=1S/C17H18O4/c1-19-15-8-5-12(9-17(15)20-2)14-7-4-11-3-6-13(18)10-16(11)21-14/h3,5-6,8-10,14,18H,4,7H2,1-2H3/t14-/m0/s1

InChIKey

AMCXSJQLANFRSQ-AWEZNQCLSA-N

Chemical Structure

2D Structure

CAS: 1443218-16-3

CID: 131848132

Formula: C17H18O4

MW: 286.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	286.32
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	286.12050905
Monoisotopic Mass	286.12050905
Topological Polar Surface Area	47.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	335
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TN5475	Trilepisflavan