Salvianolic acid E

CAT: 0931-TN2174-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-TN2174-03Size:10 mg

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CAS Number

142998-46-7

Target

Others

Related Pathways

Others

Purity

0.992

Bioactivity

Salvianolic acid E is a water-soluble constituent isolated from Salvia miltiorrhiza.

Smiles

OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C(=C/c1ccc(O)c(O)c1)C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(O)=O

Molecular Formula

C36H30O16

Molecular Weight

718.61

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Salvianolic acid E

salvianolic acid E has been reported in Salvia miltiorrhiza with data available.

CAS Number	142998-46-7
PubChem CID	86278266
IUPAC Name	(2R)-2-[(E)-3-[2-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-1-(3,4-dihydroxyphenyl)-3-oxoprop-1-en-2-yl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
Molecular Formula	C36H30O16
Molecular Weight	718.6
XLogP	4.4
Topological Polar Surface Area	289
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	15
Heavy Atom Count	52
Formal Charge	0
Complexity	1300

SMILES

C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C(C(=C(C=C2)O)O)/C(=C\C3=CC(=C(C=C3)O)O)/C(=O)O[C@H](CC4=CC(=C(C=C4)O)O)C(=O)O)O)O

InChI

InChI=1S/C36H30O16/c37-22-6-1-17(12-26(22)41)11-21(36(50)52-30(35(48)49)16-19-3-8-24(39)28(43)14-19)32-20(4-9-25(40)33(32)45)5-10-31(44)51-29(34(46)47)15-18-2-7-23(38)27(42)13-18/h1-14,29-30,37-43,45H,15-16H2,(H,46,47)(H,48,49)/b10-5+,21-11+/t29-,30-/m1/s1

InChIKey

SOXUSBQFIOBYJU-VPIXDIMLSA-N

Chemical Structure

2D Structure

CAS: 142998-46-7

CID: 86278266

Formula: C36H30O16

MW: 718.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	718.6
XLogP3	4.4
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	15
Exact Mass	718.15338487
Monoisotopic Mass	718.15338487
Topological Polar Surface Area	289 Å²
Heavy Atom Count	52
Formal Charge	0
Complexity	1300
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
HY-N0318-01	Salvianolic acid A
CS-O-57693	Salvianolic acid F
HY-N0319-01	Salvianolic acid C
HY-N1362-01	Salvianolic acid B
AB1532	Salvianolic acid H

Salvianolic acid E

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