(3beta)-3-Hydroxy-11-oxoolean-12-en-30-oic acid

Basic Information

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CAS Number

471-53-4

Molecular Formula

C30H46O4

Molecular Weight

470.69 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Melting Point

292-295 °C

Boiling Point

588.3°C at 760 mmHg

Solubility

Methanol; Water; DMSO

Refractive Index

162 ° (C=1, MeOH)

Specific Rotation

165 º (c=1, CHCl3,on dry ba)

SMILES

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O[C@H](C(C)(C1CC[C@@]([C@@]2(CC[C@]3(CC[C@](C(O)=O)(C[C@]3(C2=C4)[H])C)C)C)5C)C)CC[C@]1(C)[C@@]5([H])C4=O

InChI

InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1

InChIKey

MPDGHEJMBKOTSU-YKLVYJNSSA-N

LogP

6.4126000000000065

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

965

Safety Information

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GHS Hazard Pictograms

H302

H319

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Storage Conditions

2-8℃

Synonyms & References

English

Enoxolone
18-BETA-GLYCYRRHETINIC ACID
18B-GLYCYRRHETINIC ACID
(2S,4AS,6AS,6BR,8AR,10S,12AS,12BR,14BR)-10-HYDROXY-2,4A,6A,6B,9,9,12A-HEPTAMETHYL-13-OXO-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-ICOSAHYDRO-PICENE-2-CARBOXYLIC
ACID
(3beta,18alpha,20beta)-3-Hydroxy-11-oxoolean-12-en-29-oic acid
3BETA-HYDROXY-11-OXO-18BETA, 20BETA-OLEAN-12-EN-29-OIC ACID
3BETA-HYDROXY-11-OXO-18BETA-OLEAN-12-EN-30-OIC ACID
3b-hydroxy-11-oxo-18b,20b-olean-12-en-29-oic acid
3B-HYDROXY-11-OXO-18B-OLEAN-12-EN-30-OIC ACID
B-GLYCYRRHETINIC ACID
B-GLYCYRRNETINIC ACID
ENOLOXONE
GLYCYRRHETIC ACID
GLYCYRRHETINIC ACID
GLYCYRRHETINIC ACID, 18B-
URALENIC ACID
18-beta-glycyrrheticacid
3.beta.-Hydroxy-11-oxo-12-oleanen-30-oicacid
3-beta-hydroxy-11-oxo-olean-12-en-30-oicaci
3-beta-hydroxy-11-oxoolean-12-en-30-oicacid
18β-Glycyrrhetinic acid
18b-Glycyrrhetic acid
GLYCYRRHETINIC ACID, 18B-(P) PrintBack
GLYCYRRHETINIC ACID, 18B-(SH) PrintBack
β-Glycyrrhetinic Acid
Arthrodont
biosone
glycyrrhetin
GM 1658
PO 12

MDL Number

MFCD00003706

Customs Code

2938909030

FAQ

What is (3beta)-3-Hydroxy-11-oxoolean-12-en-30-oic acid (CAS: 471-53-4)?

This compound, with the CAS number 471-53-4, is a triterpene derivative characterized by a hydroxyl group at the 3-position and a ketone group at the 11-position. It belongs to the oleanolic acid family and has the molecular formula C30H48O5. Known for its natural occurrence in plant extracts, it exhibits structural features typical of oleanane scaffolds, including a cyclopentane ring and multiple double bonds, making it relevant in pharmaceutical and research contexts.

What are the main uses of (3beta)-3-Hydroxy-11-oxoolean-12-en-30-oic acid (CAS: 471-53-4)?

This compound is primarily used in pharmaceutical research for its potential anti-inflammatory and hepatoprotective properties. It serves as a precursor in the synthesis of oleanolic acid derivatives and is also applied in natural product studies. Additionally, it may find use in industrial formulations and as a component in dietary supplements, though specific applications depend on further research and regulatory approval.

Is (3beta)-3-Hydroxy-11-oxoolean-12-en-30-oic acid (CAS: 471-53-4) safe?

The safety of (3beta)-3-Hydroxy-11-oxoolean-12-en-30-oic acid (CAS: 471-53-4) is generally considered acceptable when handled properly. However, it is advisable to follow standard laboratory safety protocols, including protective gloves and ventilation. Limited toxicity data suggests low acute toxicity, but long-term effects require further investigation. Always comply with regulatory guidelines for safe use.

How should (3beta)-3-Hydroxy-11-oxoolean-12-en-30-oic acid (CAS: 471-53-4) be stored?

This compound should be stored in a cool, dry place (ideally 2-8°C), away from light and moisture. Use airtight, dark-colored containers to prevent degradation. Avoid exposure to incompatible substances and ensure proper ventilation. Storage stability is optimal under these conditions, though specific requirements may vary based on formulation and purity levels.