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4-O-Methylzedoarondiol

CAT: 1410-M38220Size: 1 EachDry Ice: NoHazardous: No
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Description
Methylzedoarondiol is a natural compound that can be isolated from Curcuma aromatic SALISB.
CAS Number
108944-66-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
266.38
Molecular Formula
C16H26O3
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Methylzedoarondiol

(3S,3aS,8R,8aR)-3-hydroxy-8-methoxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one has been reported in Curcuma aromatica with data available.

CAS Number108944-66-7
PubChem CID21626407
IUPAC Name(3S,3aS,8R,8aR)-3-hydroxy-8-methoxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one
Molecular FormulaC16H26O3
Molecular Weight266.38
XLogP2.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity422
SMILES
CC(=C1C[C@H]2[C@@H](CC[C@]2(C)O)[C@](CC1=O)(C)OC)C
InChI
InChI=1S/C16H26O3/c1-10(2)11-8-13-12(6-7-15(13,3)18)16(4,19-5)9-14(11)17/h12-13,18H,6-9H2,1-5H3/t12-,13+,15+,16-/m1/s1
InChIKey
JWPQPLGWOCJRTA-BFJAYTPKSA-N
Chemical Structure
2D Structure
2D structure of Methylzedoarondiol
CAS: 108944-66-7
CID: 21626407
Formula: C16H26O3
MW: 266.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.38
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass266.18819469
Monoisotopic Mass266.18819469
Topological Polar Surface Area46.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity422
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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