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Isoprocurcumenol 10mg

CAT: 0628-A24121-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A24121-10Size:10 mg
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CAS Number
102130-90-5

Chemical Information

(1S)-7-Isopropylidene-1,2,3,3aalpha,4,5,6,7,8,8abeta-decahydro-1beta-hydroxy-1-methyl-4-methyleneazulen-6-one

(3S,3aS,8aR)-3-hydroxy-3-methyl-8-methylidene-5-propan-2-ylidene-2,3a,4,8a-tetrahydro-1H-azulen-6-one has been reported in Curcuma aromatica, Curcuma zedoaria, and Curcuma longa with data available.

CAS Number102130-90-5
PubChem CID14543198
IUPAC Name(3S,3aS,8aR)-3-hydroxy-3-methyl-8-methylidene-5-propan-2-ylidene-2,3a,4,8a-tetrahydro-1H-azulen-6-one
Molecular FormulaC15H22O2
Molecular Weight234.33
XLogP2.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity401
SMILES
CC(=C1C[C@H]2[C@@H](CC[C@]2(C)O)C(=C)CC1=O)C
InChI
InChI=1S/C15H22O2/c1-9(2)12-8-13-11(5-6-15(13,4)17)10(3)7-14(12)16/h11,13,17H,3,5-8H2,1-2,4H3/t11-,13-,15-/m0/s1
InChIKey
ITIGZFMSPAFZAE-WHOFXGATSA-N
Chemical Structure
2D Structure
2D structure of (1S)-7-Isopropylidene-1,2,3,3aalpha,4,5,6,7,8,8abeta-decahydro-1beta-hydroxy-1-methyl-4-methyleneazulen-6-one
CAS: 102130-90-5
CID: 14543198
Formula: C15H22O2
MW: 234.33
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.33
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass234.161979940
Monoisotopic Mass234.161979940
Topological Polar Surface Area37.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity401
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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