(3beta)-30-Hydroxy-11,30-dioxoolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid

Basic Information

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CAS Number

1405-86-3

Molecular Formula

C42H62O16

Molecular Weight

822.94 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

205-220 °C

Boiling Point

971.4°C at 760 mmHg

Flash Point

288.1°C

Solubility

Easily soluble in hot water

Refractive Index

61 ° (C=1.5, EtOH)

Specific Rotation

+57.0° - +64.0° (c=1.5, EtOH)

SMILES

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C[C@]1([C@H](CC[C@]2([C@H]1CC[C@@]3([C@@H]2C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@](CC5)(C(=O)O)C)C)C)C)C)O[C@H]6O[C@@H]([C@H]([C@@H]([C@H]6O[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O)O)O)C(=O)O)O)O)C(=O)O)C

InChI

InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1

InChIKey

LPLVUJXQOOQHMX-QWBHMCJMSA-N

LogP

2.245600000000004

Topological Polar Surface Area

267.03999999999996 Å²

Hydrogen Bond Donor/Acceptor

8 / 16

Complexity

1730

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

glycyrrhizic acid
(3.beta.,20.beta.)-20-carboxy-11-oxo-30-norolean-12-en-3-yl2-O-.beta.-D-glucopyranuronosyl-.alpha.-D-Glucopyranosiduronicacid
-12-en-3-yl-2-o-beta-d-glucopyranuronosyl-
18-beta-glycyrrhizicacid
20beta-carboxy-11-oxo-30-norolean-12-en-3beta-yl-2-o-beta-d-glucopyranuronosyl
-alpha-d-glucopyranosiduronicacid
alpha-d-glucopyranosiduronicacid,(3beta,20beta)-20-carboxy-11-oxo-30-norol
alpha-d-glucopyranosiduronicacid,(3beta,20beta)-20-carboxy-11-oxo-30-norolean
beta-glycyrrhizin
GLYCYRRHETINIC ACID GLYCOSIDE
Glycyrrhizin
Glycyrrhizic acid
DerMacrin
glycyron
Glycyrrhitin
Glycyrrhizic
Glycyrrhizine
liquorice
Potenlini
Glycyrrhizic acid Powder
3-O-(2-O-β-D-Glucopyranuronosyl-α-D-glucopyranuronosyl)-18β-glycyrrhetinic acid
Glycyrrhizinic acid
3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-g lycyrrhetinic acid
NSC 167409
NSC 234419
1405-86-3
(2S,3R,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,6Ar,6bS,8aS,11S,12aS,14aS,14bS)-11-carboxy-4,4,6a,6b,8a
Glycyrrhetinic acid glycoside
Glycyrrhizic Acid
Glycyrrhizic acid
GLYCYRRHIZIN