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Clitorin

CAT: 1410-M29118-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Clitorin has free radical scavenging property. It shows significant interactions with CD38, it may have anti-hyperglycemic potential.
CAS Number
55804-74-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
740.664
Molecular Formula
C33H40O19
Notes
Research use only, not for human use.
Receptor
PKC

Chemical Information

Clitorin

clitorin has been reported in Saxifraga cuneifolia, Diospyros rhombifolia, and other organisms with data available.

CAS Number55804-74-5
PubChem CID11592917
IUPAC Name3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular FormulaC33H40O19
Molecular Weight740.7
XLogP-2
Topological Polar Surface Area304
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count19
Rotatable Bond Count8
Heavy Atom Count52
Formal Charge0
Complexity1260
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O)O)O)O)O
InChI
InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21+,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1
InChIKey
WRXVPTMENPZUIZ-QEZWUOJGSA-N
Chemical Structure
2D Structure
2D structure of Clitorin
CAS: 55804-74-5
CID: 11592917
Formula: C33H40O19
MW: 740.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight740.7
XLogP3-2
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count19
Rotatable Bond Count8
Exact Mass740.21637904
Monoisotopic Mass740.21637904
Topological Polar Surface Area304 Ų
Heavy Atom Count52
Formal Charge0
Complexity1260
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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