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Humulene epoxide II

CAT: 0931-TN4229Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN4229Size:5 mg
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CAS Number
19888-34-7
Target
Antifection
Related Pathways
Microbiology/Virology
Bioactivity
Humulene epoxide II has antimalarial activity.
Smiles
C\C1=C/CC(C)(C)\C=C\C[C@]2(C)O[C@@H]2CC1
Molecular Formula
C15H24O
Molecular Weight
220.356
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

12-Oxabicyclo[9.1.0]dodeca-3,7-diene, 1,5,5,8-tetramethyl-, (1R,3E,7E,11R)-

euglobal-G1 has been reported in Melicope rubra, Melicope xanthoxyloides, and other organisms with data available.

CAS Number19888-34-7
PubChem CID92476330
IUPAC Name(1R,3Z,7Z,11R)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
Molecular FormulaC15H24O
Molecular Weight220.35
XLogP3.8
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity324
SMILES
C/C/1=C/CC(/C=C\C[C@@]2([C@H](O2)CC1)C)(C)C
InChI
InChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8-/t13-,15-/m1/s1
InChIKey
QTGAEXCCAPTGLB-SGRRRNBRSA-N
Chemical Structure
2D Structure
2D structure of 12-Oxabicyclo[9.1.0]dodeca-3,7-diene, 1,5,5,8-tetramethyl-, (1R,3E,7E,11R)-
CAS: 19888-34-7
CID: 92476330
Formula: C15H24O
MW: 220.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.35
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass220.182715385
Monoisotopic Mass220.182715385
Topological Polar Surface Area12.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity324
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
380475Humulene epoxide II
TBZ2069α-Humulene epoxide I
TRC-H674570-100MGHumulene
TBZ1405α-Humulene
BUP16465-01A-Humulene
HY-W716334β-Humulene
HY-N6968R-01α-Humulene (Standard)
451988-01α-Humulene (α-Caryophyllene)
HY-N4029Humulene oxide II
469707-01β-Humulene (Technical Grade)

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