Methyl diacetoxy-6-gingerdiol

CAT: 0926-NJB78090-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-NJB78090-01Size:10 mg

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CAS Number

863780-90-9

Smiles

CC1=C (C=C (C=C1) OC) NC (=S) N

Molecular Formula

C22H34O6

Molecular Weight

394.50 g/mol

Controlled

Chemical Information

3'-Methoxy-(6)-Gingerdiol 3,5-diacetate

3'-Methoxy-[6]-Gingerdiol 3,5-diacetate is a carboxylic ester.

CAS Number	863780-90-9
PubChem CID	5319662
IUPAC Name	[3-acetyloxy-1-(3,4-dimethoxyphenyl)decan-5-yl] acetate
Molecular Formula	C22H34O6
Molecular Weight	394.5
XLogP	5.1
Topological Polar Surface Area	71.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	15
Heavy Atom Count	28
Formal Charge	0
Complexity	452

SMILES

CCCCCC(CC(CCC1=CC(=C(C=C1)OC)OC)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H34O6/c1-6-7-8-9-19(27-16(2)23)15-20(28-17(3)24)12-10-18-11-13-21(25-4)22(14-18)26-5/h11,13-14,19-20H,6-10,12,15H2,1-5H3

InChIKey

QCJKXQWAFFZFLJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 863780-90-9

CID: 5319662

Formula: C22H34O6

MW: 394.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	394.5
XLogP3	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	15
Exact Mass	394.23553880
Monoisotopic Mass	394.23553880
Topological Polar Surface Area	71.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	452
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TFA61575-01	Diacetoxy-6-gingerdiol
NJB78088-01	Diacetoxy-4-gingerdiol
EGA90569-01	[6]-Gingerdiol
FD21429-01	3,4-Diacetoxy-1-butene
YAA24680-01	5,7-Diacetoxy-8-methoxyflavone
FD32703-01	1,3-Diacetoxy-2- (acetoxymethoxy) propane
FD21426	3,17b-Diacetoxy-3,5-estradiene
RBA84153-01	Methyl 4-methyl-6-oxoheptanoate
FAA60158-01	Methyl 6-methyl-7-oxooctanoate
FAA12843-01	5,7-Diacetoxy-3,4',8-trimethoxyflavone

Catalog	Name
T124070-01	Methyl diacetoxy-6-gingerdiol
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TRC-M303505-50MG	Methyl 3a,7a-Diacetoxy-12-oxo-5b-cholan-24-oate
TRC-M303505-100MG	Methyl 3alpha,7alpha-Diacetoxy-12-oxo-5beta-cholan-24-oate
AR-C07360-01	Methyl 3a,7a-Diacetoxy-12-oxo-5ÃŸ-cholan-24-oate
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