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Versicolactone B

CAT: 0931-T80869-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T80869-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
108885-62-7
Bioactivity
Versicolactone B, a sesquiterpene extracted from Viola yedoensis, exhibits anti-complement activity affecting both the classical and alternative pathways [1].
Smiles
C(C)(=C)[C@@H]1[C@]2(C=C(C(=O)O2)CC[C@H](O)/C(/C)=C\C1)[H]
Molecular Formula
C15H20O3
Molecular Weight
248.322
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

10-Oxabicyclo[7.2.1]dodeca-5,12-dien-11-one, 4-hydroxy-5-methyl-8-(1-methylethenyl)-, (4S,5E,8R,9R)-
CAS Number108885-62-7
PubChem CID165340645
IUPAC Name(4S,5E,8R,9S)-4-hydroxy-5-methyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodeca-1(12),5-dien-11-one
Molecular FormulaC15H20O3
Molecular Weight248.32
XLogP2.4
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity431
SMILES
C/C/1=C\C[C@@H]([C@@H]2C=C(CC[C@@H]1O)C(=O)O2)C(=C)C
InChI
InChI=1S/C15H20O3/c1-9(2)12-6-4-10(3)13(16)7-5-11-8-14(12)18-15(11)17/h4,8,12-14,16H,1,5-7H2,2-3H3/b10-4+/t12-,13+,14+/m1/s1
InChIKey
XJUHTEFWFCFCBI-WENQCULDSA-N
Chemical Structure
2D Structure
2D structure of 10-Oxabicyclo[7.2.1]dodeca-5,12-dien-11-one, 4-hydroxy-5-methyl-8-(1-methylethenyl)-, (4S,5E,8R,9R)-
CAS: 108885-62-7
CID: 165340645
Formula: C15H20O3
MW: 248.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.32
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass248.14124450
Monoisotopic Mass248.14124450
Topological Polar Surface Area46.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity431
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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