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Salvianolic Acid C

CAT: 0572-TRC-S100825-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S100825-100MGSize:100 mg
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CAS Number
115841-09-3
Synonyms
Salvianolic Acid C
Hazard Statement
No Data Available
Smiles
OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c2ccc(O)c3oc(cc23)c4ccc(O)c(O)c4
Molecular Formula
C26 H20 O10
Molecular Weight
492.431
InChI
InChI=1S/C26H20O10/c27-17-5-1-13(9-20(17)30)10-23(26(33)34)35-24(32)8-4-14-2-7-19(29)25-16(14)12-22(36-25)15-3-6-18(28)21(31)11-15/h1-9,11-12,23,27-31H,10H2,(H,33,34)/b8-4+/t23-/m1/s1
Additionnal Information
IUPAC name: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid
Shipping Conditions
Room Temperature

Chemical Information

Salvianolic acid C

Salvianolic acid C is a member of benzofurans.

CAS Number115841-09-3
PubChem CID13991590
IUPAC Name(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid
Molecular FormulaC26H20O10
Molecular Weight492.4
XLogP4.1
Topological Polar Surface Area178
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity802
SMILES
C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C3C=C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)O)O
InChI
InChI=1S/C26H20O10/c27-17-5-1-13(9-20(17)30)10-23(26(33)34)35-24(32)8-4-14-2-7-19(29)25-16(14)12-22(36-25)15-3-6-18(28)21(31)11-15/h1-9,11-12,23,27-31H,10H2,(H,33,34)/b8-4+/t23-/m1/s1
InChIKey
GCJWPRRNLSHTRY-VURDRKPISA-N
Chemical Structure
2D Structure
2D structure of Salvianolic acid C
CAS: 115841-09-3
CID: 13991590
Formula: C26H20O10
MW: 492.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.4
XLogP34.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass492.10564683
Monoisotopic Mass492.10564683
Topological Polar Surface Area178 Ų
Heavy Atom Count36
Formal Charge0
Complexity802
Isotope Atom Count0
Defined Atom Stereocenter Count1
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-N0319-01Salvianolic acid C
HY-N1362-01Salvianolic acid B
AB1532Salvianolic acid H

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