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D-Laserpitin

CAT: 0013-GTR19227941-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19227941-02Size:5 mg
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Description
D-Laserpitin
CAS Number
134002-17-8
Smiles
O (C (/C (=C\C) /C) =O) [C@H]1C=2C3=C (C=CC2OC (C) (C) [C@H]1O) C=CC (=O) O3
Molecular Formula
C19H20O6
Molecular Weight
344.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

d-Laserpitin

d-Laserpitin has been reported in Peucedanum japonicum and Angelica keiskei with data available.

CAS Number134002-17-8
PubChem CID51396729
IUPAC Name[(9S,10S)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate
Molecular FormulaC19H20O6
Molecular Weight344.4
XLogP2.6
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity619
SMILES
C/C=C(/C)\C(=O)O[C@@H]1[C@@H](C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)O
InChI
InChI=1S/C19H20O6/c1-5-10(2)18(22)24-16-14-12(25-19(3,4)17(16)21)8-6-11-7-9-13(20)23-15(11)14/h5-9,16-17,21H,1-4H3/b10-5-/t16-,17-/m0/s1
InChIKey
QPLSCFLMIOADPA-LNUYWUECSA-N
Chemical Structure
2D Structure
2D structure of d-Laserpitin
CAS: 134002-17-8
CID: 51396729
Formula: C19H20O6
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass344.12598835
Monoisotopic Mass344.12598835
Topological Polar Surface Area82.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity619
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes