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Salvianolic acid B

CAT: 0862-GY9135-10mgSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0862-GY9135-10mgSize:10 mg
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CAS Number
121521-90-2
MDL Number
MFCD23115783
HS Code
29329900
Purity
95.00%
Molecular Formula
C36H30O16
Molecular Weight
718.62
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

Salvianolic Acid B

Salvianolic acid B is a member of the class of 1-benzofurans that is an antioxidant and free radical scavenging compound extracted from S. miltiorrhiza. It has a role as an antioxidant, an antidepressant, a hypoglycemic agent, an antineoplastic agent, a hepatoprotective agent, an osteogenesis regulator, a neuroprotective agent, an anti-inflammatory agent, an apoptosis inducer, a plant metabolite, a cardioprotective agent and an autophagy inhibitor. It is a polyphenol, a member of catechols, a dicarboxylic acid, a member of 1-benzofurans and an enoate ester.

CAS Number121521-90-2
PubChem CID6451084
IUPAC Name(2R)-2-[(E)-3-[(2S,3S)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
Molecular FormulaC36H30O16
Molecular Weight718.6
XLogP4
Topological Polar Surface Area278
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count16
Rotatable Bond Count14
Heavy Atom Count52
Formal Charge0
Complexity1290
SMILES
C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C3[C@@H]([C@H](OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O[C@H](CC5=CC(=C(C=C5)O)O)C(=O)O)O)O
InChI
InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31+,32-/m1/s1
InChIKey
SNKFFCBZYFGCQN-VWUOOIFGSA-N
Chemical Structure
2D Structure
2D structure of Salvianolic Acid B
CAS: 121521-90-2
CID: 6451084
Formula: C36H30O16
MW: 718.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight718.6
XLogP34
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count16
Rotatable Bond Count14
Exact Mass718.15338487
Monoisotopic Mass718.15338487
Topological Polar Surface Area278 Ų
Heavy Atom Count52
Formal Charge0
Complexity1290
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-N0318-01Salvianolic acid A
CS-O-57693Salvianolic acid F
HY-N1362-01Salvianolic acid B
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