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Villosin

CAT: 0804-HY-N1090Size: 1 EachDry Ice: NoHazardous: No
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Description
Villosin is a diterpenoid, that can be isolated from the stems of Hedychium villosum[1].
CAS Number
160598-92-5
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/villosin.html
Solubility
10 mM in DMSO
Smiles
O=C1OCC=C1/C=C/[C@H]2C(CC[C@@]3([H])C(C)(C)CCC[C@]23C)=C
Molecular Formula
C20H28O2
Molecular Weight
300.44
References & Citations
[1]Xiao P, et al. New diterpene from Hedychium villosum. Fitoterapia. 2001 Nov;72 (7) :837-8.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Villosin

3-[(1E)-2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]ethenyl]-5H-furan-2-one has been reported in Curcuma kwangsiensis, Hedychium villosum, and other organisms with data available.

CAS Number160598-92-5
PubChem CID16733738
IUPAC Name4-[(E)-2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one
Molecular FormulaC20H28O2
Molecular Weight300.4
XLogP5.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity552
SMILES
C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2/C=C/C3=CCOC3=O)(C)C
InChI
InChI=1S/C20H28O2/c1-14-6-9-17-19(2,3)11-5-12-20(17,4)16(14)8-7-15-10-13-22-18(15)21/h7-8,10,16-17H,1,5-6,9,11-13H2,2-4H3/b8-7+/t16-,17-,20+/m0/s1
InChIKey
HVTQZHAAIRBKHO-YSLAMIOMSA-N
Chemical Structure
2D Structure
2D structure of Villosin
CAS: 160598-92-5
CID: 16733738
Formula: C20H28O2
MW: 300.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.4
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass300.208930132
Monoisotopic Mass300.208930132
Topological Polar Surface Area26.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity552
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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