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11,12-Dihydro-7-hydroxyhedychenone

CAT: 0931-TN2578Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN2578Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60149-07-7
Target
Others
Related Pathways
Others
Bioactivity
11,12-Dihydro-7-hydroxyhedychenone is a natural product for research related to life sciences. The catalog number is TN2578 and the CAS number is 60149-07-7.
Smiles
CC1=C(O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCc1ccoc1
Molecular Formula
C20H28O3
Molecular Weight
316.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

11,12-Dihydro-7-hydroxyhedychenone
CAS Number60149-07-7
PubChem CID12187537
IUPAC Name(4R,4aR,8aS)-4-[2-(furan-3-yl)ethyl]-2-hydroxy-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one
Molecular FormulaC20H28O3
Molecular Weight316.4
XLogP4.9
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity519
SMILES
CC1=C(C(=O)[C@@H]2[C@@]([C@H]1CCC3=COC=C3)(CCCC2(C)C)C)O
InChI
InChI=1S/C20H28O3/c1-13-15(7-6-14-8-11-23-12-14)20(4)10-5-9-19(2,3)18(20)17(22)16(13)21/h8,11-12,15,18,21H,5-7,9-10H2,1-4H3/t15-,18-,20+/m0/s1
InChIKey
PWDNWMSVYWFLTF-ZAAXVRCTSA-N
Chemical Structure
2D Structure
2D structure of 11,12-Dihydro-7-hydroxyhedychenone
CAS: 60149-07-7
CID: 12187537
Formula: C20H28O3
MW: 316.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.4
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass316.20384475
Monoisotopic Mass316.20384475
Topological Polar Surface Area50.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity519
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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