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Altissimacoumarin K

CAT: 0013-GTR19242745-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242745-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Altissimacoumarin K is a natural coumarin compound for life science research. It serves as a biochemical tool for in vitro studies investigating coumarin-related biological pathways and mechanisms.
CAS Number
2555262-76-3
Smiles
O (C) C1=C2C (=CC (OC) =C1OC[C@@H] (O) [C@@]3 (C) O[C@H] (C (C) (C) O) CC3) C=CC (=O) O2
Molecular Formula
C21H28O8
Molecular Weight
408.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-[(2R)-2-hydroxy-2-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethoxy]-6,8-dimethoxychromen-2-one
CAS Number2555262-76-3
PubChem CID178420982
IUPAC Name7-[(2R)-2-hydroxy-2-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethoxy]-6,8-dimethoxychromen-2-one
Molecular FormulaC21H28O8
Molecular Weight408.4
XLogP1.8
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity620
SMILES
C[C@]1(CC[C@H](O1)C(C)(C)O)[C@@H](COC2=C(C=C3C=CC(=O)OC3=C2OC)OC)O
InChI
InChI=1S/C21H28O8/c1-20(2,24)15-8-9-21(3,29-15)14(22)11-27-18-13(25-4)10-12-6-7-16(23)28-17(12)19(18)26-5/h6-7,10,14-15,22,24H,8-9,11H2,1-5H3/t14-,15+,21+/m1/s1
InChIKey
PQKONXIHHCVUNL-WIEQDCTASA-N
Chemical Structure
2D Structure
2D structure of 7-[(2R)-2-hydroxy-2-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethoxy]-6,8-dimethoxychromen-2-one
CAS: 2555262-76-3
CID: 178420982
Formula: C21H28O8
MW: 408.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.4
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass408.17841785
Monoisotopic Mass408.17841785
Topological Polar Surface Area104 Ų
Heavy Atom Count29
Formal Charge0
Complexity620
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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