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Daurichromenic acid 5mg

CAT: 0628-A15624-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A15624-5Size:5 mg
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CAS Number
82003-90-5

Chemical Information

Daurichromenic Acid

(2S)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-5-hydroxy-2,7-dimethylchromene-6-carboxylic acid has been reported in Rhododendron dauricum, Rhododendron anthopogonoides, and Rhododendron anthopogon with data available.

CAS Number82003-90-5
PubChem CID6475854
IUPAC Name(2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-hydroxy-2,7-dimethylchromene-6-carboxylic acid
Molecular FormulaC23H30O4
Molecular Weight370.5
XLogP6.7
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity614
SMILES
CC1=CC2=C(C=C[C@](O2)(C)CC/C=C(\C)/CCC=C(C)C)C(=C1C(=O)O)O
InChI
InChI=1S/C23H30O4/c1-15(2)8-6-9-16(3)10-7-12-23(5)13-11-18-19(27-23)14-17(4)20(21(18)24)22(25)26/h8,10-11,13-14,24H,6-7,9,12H2,1-5H3,(H,25,26)/b16-10+/t23-/m0/s1
InChIKey
UYLFTJMQPWWDCW-MVLVPLOLSA-N
Chemical Structure
2D Structure
2D structure of Daurichromenic Acid
CAS: 82003-90-5
CID: 6475854
Formula: C23H30O4
MW: 370.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.5
XLogP36.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass370.21440943
Monoisotopic Mass370.21440943
Topological Polar Surface Area66.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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