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L-Carveol glucoside

CAT: 0926-XC182729-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-XC182729-01Size:50 mg
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CAS Number
113349-30-7
Synonyms
2-Methyl-5- (1-methylethenyl) -2-cyclohexen-1-yl-O-β-D-glucopyranoside
Smiles
O ([C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O) [C@H]2C[C@H] (C (C) =C) CC=C2C
Molecular Formula
C16H26O6
Molecular Weight
314.37 g/mol
Controlled
No

Chemical Information

(-)-trans-Carveol glucoside

(-)-trans-Carveol glucoside is a terpene glycoside.

CAS Number113349-30-7
PubChem CID10710378
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]oxyoxane-3,4,5-triol
Molecular FormulaC16H26O6
Molecular Weight314.37
XLogP0.5
Topological Polar Surface Area99.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity434
SMILES
CC1=CC[C@H](C[C@@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=C)C
InChI
InChI=1S/C16H26O6/c1-8(2)10-5-4-9(3)11(6-10)21-16-15(20)14(19)13(18)12(7-17)22-16/h4,10-20H,1,5-7H2,2-3H3/t10-,11+,12-,13-,14+,15-,16-/m1/s1
InChIKey
IPOIBBMZOXJYFV-RMPHEQRESA-N
Chemical Structure
2D Structure
2D structure of (-)-trans-Carveol glucoside
CAS: 113349-30-7
CID: 10710378
Formula: C16H26O6
MW: 314.37
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight314.37
XLogP30.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass314.17293854
Monoisotopic Mass314.17293854
Topological Polar Surface Area99.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity434
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes