Arisanschinin E

CAT: 0926-IDC37833-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-IDC37833-02Size:25 mg

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CAS Number

1333378-33-8

Smiles

CC (CC1=CC (=C (C=C1) OC) O) C (C) CC2=CC (=C (C (=C2) OC) OC) O

Molecular Formula

C21H28O5

Molecular Weight

360.4 g/mol

Controlled

Chemical Information

Arisanschinin E

CAS Number	1333378-33-8
PubChem CID	146075484
IUPAC Name	5-[(2S,3R)-4-(3-hydroxy-4-methoxyphenyl)-2,3-dimethylbutyl]-2,3-dimethoxyphenol
Molecular Formula	C21H28O5
Molecular Weight	360.4
XLogP	4.9
Topological Polar Surface Area	68.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	26
Formal Charge	0
Complexity	404

SMILES

C[C@H](CC1=CC(=C(C=C1)OC)O)[C@@H](C)CC2=CC(=C(C(=C2)OC)OC)O

InChI

InChI=1S/C21H28O5/c1-13(8-15-6-7-19(24-3)17(22)10-15)14(2)9-16-11-18(23)21(26-5)20(12-16)25-4/h6-7,10-14,22-23H,8-9H2,1-5H3/t13-,14+/m1/s1

InChIKey

AYPLZNRYBLNHNZ-KGLIPLIRSA-N

Chemical Structure

2D Structure

CAS: 1333378-33-8

CID: 146075484

Formula: C21H28O5

MW: 360.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	360.4
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	360.19367399
Monoisotopic Mass	360.19367399
Topological Polar Surface Area	68.2 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	404
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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
FB64958-01	(E, E) -Bisdemethoxycurcumin
FD21756-01	E, E-Dienestrol
AAA46211-01	(E, E) Farnesoic acid
KAA48570-01	(E, E) Methyl farnesoate
QNA70135-01	(E, E) -Farnesyl thioacetate
FP27067-01	(E, E) -Piperic acid
PF16962-01	F-L-E-E-V
PP43404-01	F-L-E-E-V
BB300038	(E, E) -Bisdemethoxycurcumin - Bio-X TM
ZLB90158-01	Rupesin E