Cimifugin

CAT: 1568-C13878-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:1568-C13878-02Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

37921-38-3

SKU

C13878-1mg

Smiles

CC (C) (C1CC2=C (O1) C=C3C (=C2OC) C (=O) C=C (O3) CO) O

Molecular Formula

C16H18O6

Additionnal Information

Cimifugin is a bioactive component of Saposhnikovia divaricata, a Chinese herb for treating allergy.

Storage Conditions

3 years -20°C powder

Chemical Information

Cimifugin

Cimifugin is an organic heterotricyclic compound and an oxacycle.

CAS Number	37921-38-3
PubChem CID	441960
IUPAC Name	(2S)-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
Molecular Formula	C16H18O6
Molecular Weight	306.31
XLogP	0.6
Topological Polar Surface Area	85.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	485

SMILES

CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)CO)O

InChI

InChI=1S/C16H18O6/c1-16(2,19)13-5-9-11(22-13)6-12-14(15(9)20-3)10(18)4-8(7-17)21-12/h4,6,13,17,19H,5,7H2,1-3H3/t13-/m0/s1

InChIKey

ATDBDSBKYKMRGZ-ZDUSSCGKSA-N

Chemical Structure

2D Structure

CAS: 37921-38-3

CID: 441960

Formula: C16H18O6

MW: 306.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.31
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	306.11033829
Monoisotopic Mass	306.11033829
Topological Polar Surface Area	85.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	485
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
T3383-01	Cimifugin
HY-N0634R-01	Cimifugin (Standard)
300076	Cimifugin discontinued. See 269510
MBS3609125-01	Cimifugin beta-D-glucopyranoside
TN1496	Cimifugin 4'-O-β-D-glucopyranoside
371282	Cimifugin 4'-O-β-D-glucopyranoside discontinued