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Decursinol angelate

CAT: 0498-bs-6833C-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-6833C-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
130848-06-5
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO
Smiles
C/C(=C/C)/C(=O)O[C@H]1CC2C=C3C=CC(=O)OC3=CC=2OC1(C)C
Molecular Formula
C19 H20 O5
Molecular Weight
328.36
InChI
InChI=1S/C19H20O5/c1-5-11 (2) 18 (21) 23-16-9-13-8-12-6-7-17 (20) 22-14 (12) 10-15 (13) 24-19 (16,3) 4/h5-8,10,16H,9H2,1-4H3/b11-5-/t16-/m0/s1
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

Decursinol Angelate

decursinol angelate has been reported in Angelica gigas and Angelica glauca with data available.

CAS Number130848-06-5
PubChem CID776123
IUPAC Name[(3S)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] (Z)-2-methylbut-2-enoate
Molecular FormulaC19H20O5
Molecular Weight328.4
XLogP3.7
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity589
SMILES
C/C=C(/C)\C(=O)O[C@H]1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C
InChI
InChI=1S/C19H20O5/c1-5-11(2)18(21)23-16-9-13-8-12-6-7-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3/b11-5-/t16-/m0/s1
InChIKey
AGABNGOXUSXQDD-XKGFZTIGSA-N
Chemical Structure
2D Structure
2D structure of Decursinol Angelate
CAS: 130848-06-5
CID: 776123
Formula: C19H20O5
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass328.13107373
Monoisotopic Mass328.13107373
Topological Polar Surface Area61.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity589
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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