[6]-Gingerdiol

CAT: 0926-EGA90569-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-EGA90569-02Size:5 mg

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CAS Number

154905-69-8

Smiles

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

Molecular Formula

C17H28O4

Molecular Weight

296.4 g/mol

Controlled

Chemical Information

Gingerdiol

See also: Ginger (part of).

CAS Number	154905-69-8
PubChem CID	11369949
IUPAC Name	(3R,5S)-1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol
Molecular Formula	C17H28O4
Molecular Weight	296.4
XLogP	3
Topological Polar Surface Area	69.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Heavy Atom Count	21
Formal Charge	0
Complexity	259

SMILES

CCCCC[C@@H](C[C@@H](CCC1=CC(=C(C=C1)O)OC)O)O

InChI

InChI=1S/C17H28O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14-15,18-20H,3-7,9,12H2,1-2H3/t14-,15+/m0/s1

InChIKey

QYXKQNMJTHPKBP-LSDHHAIUSA-N

Chemical Structure

2D Structure

CAS: 154905-69-8

CID: 11369949

Formula: C17H28O4

MW: 296.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	296.4
XLogP3	3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	296.19875937
Monoisotopic Mass	296.19875937
Topological Polar Surface Area	69.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	259
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
NJB78088-01	Diacetoxy-4-gingerdiol
FG09324-01	6-Gingerol
AAA76464-01	6,6,6-Trifluorohexanoic acid
FB183788	6,6'-Bieckol
NA16207	6,6'-Azopurine
FBA34370-01	6,6′-Dihydroxythiobinupharidine
FD32493-01	6,6'-Dibromoindigo
KLC36459-01	6,6,6-Trifluorohexan-2-ol
QCA61147-01	6,6,6-Trifluorohexan-1-ol
UXB76543-01	6,6,6-Trifluorohexan-3-one

Catalog	Name
TBW01253	6-Gingerdiol
MBS5787869	[6]-Gingerdiol
TBW00943	Diacetoxy-6-gingerdiol
TN5771	(3S,5S) -[6]-Gingerdiol
T124070-01	Methyl diacetoxy-6-gingerdiol
MBS5787874	(3S,5S)-[6]-Gingerdiol
MBS5787883	[4]-Gingerdiol
T124071-01	Diacetoxy-4-gingerdiol