Salvianolic Acid G

CAT: 1299-RG-A261446-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A261446-01Size:10 mg

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CAS Number

136112-79-3

Synonyms

6,8,9-trihydroxy-1-oxo-2,3-dihydro-1H-benzo[f]naphtho[1,8-bc]oxepine-2-carboxylic acid

Molecular Formula

C18H12O7

Molecular Weight

340.29

Product Name Synonym

6,8,9-trihydroxy-1-oxo-2,3-dihydro-1H-benzo[f]naphtho[1,8-bc]oxepine-2-carboxylic acid

Chemical Information

Salvianolic acid G

Salvianolic acid G is a dibenzooxazepine.

CAS Number	136112-79-3
PubChem CID	11530200
IUPAC Name	4,5,17-trihydroxy-11-oxo-2-oxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,9,14(18),15-heptaene-12-carboxylic acid
Molecular Formula	C18H12O7
Molecular Weight	340.3
XLogP	2.7
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Heavy Atom Count	25
Formal Charge	0
Complexity	615

SMILES

C1C(C(=O)C2=CC3=C(C(=C(C=C3)O)O)OC4=C(C=CC1=C24)O)C(=O)O

InChI

InChI=1S/C18H12O7/c19-11-3-2-8-6-9-13-7(5-10(14(9)21)18(23)24)1-4-12(20)17(13)25-16(8)15(11)22/h1-4,6,10,19-20,22H,5H2,(H,23,24)

InChIKey

AMPDZVASNOBSQZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 136112-79-3

CID: 11530200

Formula: C18H12O7

MW: 340.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	340.3
XLogP3	2.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	340.05830272
Monoisotopic Mass	340.05830272
Topological Polar Surface Area	124 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	615
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-S033106-01	Salvianolic acid E
RG-S033102-01	Salvianolic Acid Y
RG-S033101-01	Salvianolic Acid I
RG-S033104-01	Salvianolic Acid B
RG-E141438-01	Salvianolic acid C
RG-S033103-01	Salvianolic Acid Y (S-Isomer)
RG-S033105-01	Salvianolic Acid B (R, R-Isomer)
RG-G025005-01	Ganoderic Acid G
RM-U190407-01	Ursodeoxycholic Acid EP Impurity G; Chenodeoxycholic acid EP Impurity G
RM-O022007-01	Obeticholic Acid Impurity G