1-O-[(3beta)-3-(beta-D-Glucopyranuronosyloxy)-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose

Basic Information

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CAS Number

51415-02-2

Molecular Formula

C42H66O14

Molecular Weight

794.98 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

218-220 ºC (methanol , water )

Boiling Point

873.3°C at 760 mmHg

Flash Point

255.6°C

Solubility

Insuluble (8.7E-5 g/L) (25 ºC),

Refractive Index

1.611

SMILES

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CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C

InChI

InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,39-,40+,41+,42-/m0/s1

InChIKey

YOSRLTNUOCHBEA-SGVKAIFKSA-N

LogP

2.4086000000000016

Topological Polar Surface Area

232.89999999999995 Å²

Hydrogen Bond Donor/Acceptor

8 / 14

Complexity

1560

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Chikusetsu saponin a
OLEANOLIC ACID 3-O-(beta-D-GLUCURONOPYRANOSYL)-28-O-beta-D-GLUCOPYRANOSIDE
Chikusetsu saponin iva
OLEANOLIC ACID 3-O-(.BETA.-D-GLUCURONOPYRANOSYL)-28-O-.BETA.-D-GLUCOPYRANOSIDE
CHEMBL1095348
CCG-270487
beta-D-Glucopyranosiduronic acid, (3beta)-28-(beta-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl
HY-N0818
SCHEMBL2987898
CHEBI:67977
Calenduloside F
AS-77494
T3FU6ZPR5V
SILPHIOSIDE G
Chikusetsusaponin-IVa
AKOS037514679
51415-02-2
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.)-28-(.BETA.-D-GLUCOPYRANOSYLOXY)-28-OXOOLEAN-12-EN-3-YL
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Q27136462
AC-35098
s9116
UNII-T3FU6ZPR5V
DTXSID10965732
Chikusetsusaponin iva
3-O-.BETA.-D-GLUCURONOPYRANOSYL)OLEANOLIC ACID 28-O-.BETA.-D-GLUCOPYRANOSIDE
3-O-beta-D-GLUCURONOPYRANOSYL)OLEANOLIC ACID 28-O-beta-D-GLUCOPYRANOSIDE
CS-3821
MOMORDIN IIB
b-D-Glucopyranosiduronic acid, (3b)-28-(b-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl
Chikusetsusaponin Iva

MDL Number

MFCD22125022

FAQ

What is 1-O-[(3beta)-3-(beta-D-Glucopyranuronosyloxy)-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose (CAS: 51415-02-2)?

1-O-[(3beta)-3-(beta-D-Glucopyranuronosyloxy)-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose (CAS: 51415-02-2) is a triterpene glucoside, characterized by its complex structure with a oleanane skeleton and a glucopyranoside group. It is typically used in pharmaceuticals and natural product research for its potential biological activities.

What are the main uses of 1-O-[(3beta)-3-(beta-D-Glucopyranuronosyloxy)-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose (CAS: 51415-02-2)?

1-O-[(3beta)-3-(beta-D-Glucopyranuronosyloxy)-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose (CAS: 51415-02-2) is primarily used in pharmaceuticals for its potential anti-inflammatory and antioxidant properties. It also finds applications in natural product research for evaluating its biological activities.

Is 1-O-[(3beta)-3-(beta-D-Glucopyranuronosyloxy)-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose (CAS: 51415-02-2) safe?

1-O-[(3beta)-3-(beta-D-Glucopyranuronosyloxy)-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose (CAS: 51415-02-2) is considered relatively safe when used appropriately. However, users should follow recommended guidelines and precautions, including wearing protective gloves and goggles during handling to avoid skin and eye contact.

How should 1-O-[(3beta)-3-(beta-D-Glucopyranuronosyloxy)-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose (CAS: 51415-02-2) be stored?

1-O-[(3beta)-3-(beta-D-Glucopyranuronosyloxy)-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose (CAS: 51415-02-2) should be stored in a cool, dry place away from direct sunlight and heat sources. It is advisable to maintain a temperature between 15°C and 25°C and to store it in airtight containers to prevent degradation and contamination.