Products for Research Use Only
RegisterLogin

Chebulinic acid 50mg

CAT: 0628-A16208-50Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A16208-50Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
18942-26-2

Chemical Information

Chebulinic Acid

chebulinic acid has been reported in Terminalia, Terminalia chebula, and Lumnitzera racemosa with data available.

CAS Number18942-26-2
PubChem CID99937814
IUPAC Name2-[(4R,5S,7R,8R,11S,12S,13R,21S)-13,17,18-trihydroxy-2,10,14-trioxo-5,21-bis[(3,4,5-trihydroxybenzoyl)oxy]-7-[(3,4,5-trihydroxybenzoyl)oxymethyl]-3,6,9,15-tetraoxatetracyclo[10.7.1.14,8.016,20]henicosa-1(19),16(20),17-trien-11-yl]acetic acid
Molecular FormulaC41H32O27
Molecular Weight956.7
XLogP0.7
Topological Polar Surface Area447
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count27
Rotatable Bond Count12
Heavy Atom Count68
Formal Charge0
Complexity1880
SMILES
C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5[C@H]([C@@H](C(=O)O3)CC(=O)O)[C@H](C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O
InChI
InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22+,24-,30+,31+,33-,34+,41-/m0/s1
InChIKey
YGVHOSGNOYKRIH-AVXZFDTDSA-N
Chemical Structure
2D Structure
2D structure of Chebulinic Acid
CAS: 18942-26-2
CID: 99937814
Formula: C41H32O27
MW: 956.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight956.7
XLogP30.7
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count27
Rotatable Bond Count12
Exact Mass956.11309574
Monoisotopic Mass956.11309574
Topological Polar Surface Area447 Ų
Heavy Atom Count68
Formal Charge0
Complexity1880
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
A16208-5Chebulinic acid 5mg
A16208-25Chebulinic acid 25mg
A16208-1Chebulinic acid 1mg
A16208-100Chebulinic acid 100mg
A16208-10Chebulinic acid 10mg
A16208-2Chebulinic acid 2mg
A16208-500Chebulinic acid 500mg
A16208-10mM-DChebulinic acid 10mM * 1mL in DMSO
A19165-50Guanidinosuccinic acid 50mg
A18854-50Argininic acid 50mg

Alternative Products

CatalogName
N2863-500Chebulinic acid

Popular Products