Ecliptasaponin A

CAT: 0931-T2S0690-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T2S0690-04Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

78285-90-2

Target

Others, TLR, Autophagy, JNK, COX, MMP, Apoptosis, NF-κB, ASK, TNF

Related Pathways

NF-κB, Immunology/Inflammation, Autophagy, Proteases/Proteasome, Others, Neuroscience, MAPK, Apoptosis

Purity

0.9971

Bioactivity

1. Ecliptasaponin A (Echinocystic acid-3-o-glucoside) has protective effects against the pulmonary fibrosis induced by bleomycin via reducing the oxidative stress, lung tissue inflammation, and the subsequent epithelial-mesenchymal transition.

Smiles

CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@@]34C)[C@H]2C1)C(O)=O

Molecular Formula

C36H58O9

Molecular Weight

634.84

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Ecliptasaponin A

Echinocystic acid 3-glucoside is a triterpenoid saponin.

CAS Number	78285-90-2
PubChem CID	476537
IUPAC Name	(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Formula	C36H58O9
Molecular Weight	634.8
XLogP	5.3
Topological Polar Surface Area	157
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Heavy Atom Count	45
Formal Charge	0
Complexity	1210

SMILES

C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O

InChI

InChI=1S/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21+,22-,23+,24+,25-,26+,27-,28+,29-,33-,34+,35+,36+/m0/s1

InChIKey

WYDPEADEZMZKNM-ZBKPBKBGSA-N

Chemical Structure

2D Structure

CAS: 78285-90-2

CID: 476537

Formula: C36H58O9

MW: 634.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	634.8
XLogP3	5.3
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	634.40808342
Monoisotopic Mass	634.40808342
Topological Polar Surface Area	157 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1210
Isotope Atom Count	0
Defined Atom Stereocenter Count	14
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-N1508-01	Ecliptasaponin A
TB0686-0020	Ecliptasaponin D
HY-N1508R	Ecliptasaponin A (Standard)
GTR19242983-01	Ecliptasaponin B
371386	Ecliptasaponin D discontinued

Ecliptasaponin A

Chemical Information

Alternative Products

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