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Diphysin

CAT: 0013-GTR19228175-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228175-01Size:1 mg
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Description
Diphysin (CAS 152246-61-2) is a natural product suitable for use as an analytical reference standard. It is utilized in biochemical research for in vitro studies investigating its biological activities and potential pharmacological properties.
CAS Number
152246-61-2
Smiles
[H][C@]1 ([C@H] (c2ccc (O) cc2) c2c (O) cc (O) cc2OC1=O) [C@]1 ([H]) [C@H] (c2ccc (O) cc2) c2c (O) cc (O) cc2OC1=O
Molecular Formula
C30H22O10
Molecular Weight
542.496
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Diphysin

Diphysin has been reported in Diphysa americana, Ormocarpum kirkii, and Diphysa robinioides with data available.

CAS Number152246-61-2
PubChem CID24150647
IUPAC Name(3S,4R)-3-[(3S,4R)-5,7-dihydroxy-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydrochromen-3-yl]-5,7-dihydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one
Molecular FormulaC30H22O10
Molecular Weight542.5
XLogP3.9
Topological Polar Surface Area174
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count40
Formal Charge0
Complexity853
SMILES
C1=CC(=CC=C1[C@H]2[C@H](C(=O)OC3=CC(=CC(=C23)O)O)[C@@H]4[C@@H](C5=C(C=C(C=C5OC4=O)O)O)C6=CC=C(C=C6)O)O
InChI
InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)23-25-19(35)9-17(33)11-21(25)39-29(37)27(23)28-24(14-3-7-16(32)8-4-14)26-20(36)10-18(34)12-22(26)40-30(28)38/h1-12,23-24,27-28,31-36H/t23-,24-,27+,28+/m1/s1
InChIKey
WCAMADNGWUBZMH-ZBVBGGFBSA-N
Chemical Structure
2D Structure
2D structure of Diphysin
CAS: 152246-61-2
CID: 24150647
Formula: C30H22O10
MW: 542.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.5
XLogP33.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass542.12129689
Monoisotopic Mass542.12129689
Topological Polar Surface Area174 Ų
Heavy Atom Count40
Formal Charge0
Complexity853
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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