Products for Research Use Only
RegisterLogin

Mearnsitrin

CAT: 0931-TMA0716-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TMA0716-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
30484-88-9
Target
Others
Related Pathways
Others
Bioactivity
Mearnsitrin is a natural product of Clausena, Rutaceae. The catalog number is TMA0716 and the CAS number is 30484-88-9. Mearnsitrin can be used as a reference standard.
Smiles
COc1c(O)cc(cc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
Molecular Formula
C22H22O12
Molecular Weight
478.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mearnsitrin

Mearnsitrin is a glycoside and a member of flavonoids.

CAS Number30484-88-9
PubChem CID6918652
IUPAC Name2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Molecular FormulaC22H22O12
Molecular Weight478.4
XLogP0.8
Topological Polar Surface Area196
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity776
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)OC)O)O)O)O
InChI
InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3/t7-,15-,17+,18+,22-/m0/s1
InChIKey
NAQNISJXKDSYJD-DHWIRCOFSA-N
Chemical Structure
2D Structure
2D structure of Mearnsitrin
CAS: 30484-88-9
CID: 6918652
Formula: C22H22O12
MW: 478.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.4
XLogP30.8
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass478.11112613
Monoisotopic Mass478.11112613
Topological Polar Surface Area196 Ų
Heavy Atom Count34
Formal Charge0
Complexity776
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T3837-01Mearnsetin

Alternative Products

CatalogName
CS-BT-00432Mearnsitrin

Popular Products