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(1R) -Chrysanthemolactone

CAT: 0804-HY-N8575ASize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N8575ASize:1 Each
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Description
(1R) -Chrysanthemolactone is a Monoterpenoids product that can be isolated from the flowers of Dendranthema indicum[1].
CAS Number
14087-70-8
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/1r-chrysanthemolactone.html
Smiles
O=C1[C@@]2([H])C(C)(C)[C@@]2([H])CC(C)(C)O1
Molecular Formula
C10H16O2
Molecular Weight
168.23
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(1R)-Chrysanthemolactone
CAS Number14087-70-8
PubChem CID2724747
IUPAC Name(1R,6S)-4,4,7,7-tetramethyl-3-oxabicyclo[4.1.0]heptan-2-one
Molecular FormulaC10H16O2
Molecular Weight168.23
XLogP2.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity240
SMILES
CC1(C[C@H]2[C@H](C2(C)C)C(=O)O1)C
InChI
InChI=1S/C10H16O2/c1-9(2)5-6-7(8(11)12-9)10(6,3)4/h6-7H,5H2,1-4H3/t6-,7-/m0/s1
InChIKey
XAKBEOUVVTWXNF-BQBZGAKWSA-N
Chemical Structure
2D Structure
2D structure of (1R)-Chrysanthemolactone
CAS: 14087-70-8
CID: 2724747
Formula: C10H16O2
MW: 168.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.23
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass168.115029749
Monoisotopic Mass168.115029749
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity240
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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