(3beta)-3-[(3-Carboxypropanoyl)oxy]-11-oxoolean-12-en-30-oic acid

Basic Information

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CAS Number

5697-56-3

Molecular Formula

C34H50O7

Molecular Weight

570.77 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 Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

291-294 ºC

Boiling Point

687.4°C at 760 mmHg

Flash Point

211.6 °C

Refractive Index

1.5820 (estimate)

Specific Rotation

D20 +128° (chloroform)

SMILES

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CC1(C2CCC3(C(C2(CCC1OC(=O)CCC(=O)O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C

InChI

InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1

InChIKey

OBZHEBDUNPOCJG-WBXJDKIVSA-N

LogP

6.828300000000007

Topological Polar Surface Area

117.97000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

1200

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

AKOS015951361
OLEAN-12-EN-29-OIC ACID, 3-(3-CARBOXY-1-OXOPROPOXY)-11-OXO, (3.BETA.,20.BETA.)-
UNII-MM6384NG73
CARBENOXOLONE [WHO-DD]
carbenoxolone
Q752861
Carbenoxolone [INN:BAN]
(3beta)-3-[(3-carboxypropanoyl)oxy]-11-oxoolean-12-en-30-oic acid
Carbenoxolonum [INN-Latin]
3beta-(3-Carboxypropionyloxy)-11-oxo-olean-12-en-30-saeure
Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, (3.beta.,20.beta.)-
Prestwick3_000837
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(4-hydroxy-4-oxobutanoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, (3beta,20beta)-
CARBENOXOLONE [MI]
HY-B1588
AKOS016036240
BRD-K12765235-304-03-8
3beta-O-Succinyl-18-beta-glycyrrhetinic acid
Biogastrone; Bioral; Carbenoxolona
Carbenoxolona
SCHEMBL76013
3-beta-(3-Carboxypropionyloxy)-11-oxo-olean-12-en-30-oic acid
D07615
BCP29160
Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-,(3b,20b)-
Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-, hydrogen succinate
GTPL4151
MM6384NG73
SPBio_002714
Prestwick1_000837

MDL Number

MFCD20926283

Customs Code

2938909030

FAQ

What is (3beta)-3-[(3-Carboxypropanoyl)oxy]-11-oxoolean-12-en-30-oic acid (CAS: 5697-56-3)?

(3beta)-3-[(3-Carboxypropanoyl)oxy]-11-oxoolean-12-en-30-oic acid (CAS: 5697-56-3) is a steroidal triterpenoid compound characterized by its unsaturated and substituted ring structure. It is a complex organic molecule with potential applications in pharmaceuticals and research due to its structural properties.

What are the main uses of (3beta)-3-[(3-Carboxypropanoyl)oxy]-11-oxoolean-12-en-30-oic acid (CAS: 5697-56-3)?

(3beta)-3-[(3-Carboxypropanoyl)oxy]-11-oxoolean-12-en-30-oic acid (CAS: 5697-56-3) is primarily used in pharmaceutical research as a bioactive molecule. It may also have potential applications in nutraceuticals and cosmetics due to its steroidal structure and chemical properties.

Is (3beta)-3-[(3-Carboxypropanoyl)oxy]-11-oxoolean-12-en-30-oic acid (CAS: 5697-56-3) safe?

(3beta)-3-[(3-Carboxypropanoyl)oxy]-11-oxoolean-12-en-30-oic acid (CAS: 5697-56-3) is generally considered safe for laboratory use when handled with appropriate safety precautions. However, it is important to follow safety guidelines, including proper ventilation and personal protective equipment.

How should (3beta)-3-[(3-Carboxypropanoyl)oxy]-11-oxoolean-12-en-30-oic acid (CAS: 5697-56-3) be stored?

(3beta)-3-[(3-Carboxypropanoyl)oxy]-11-oxoolean-12-en-30-oic acid (CAS: 5697-56-3) should be stored at a temperature below 25°C in a dry, cool environment. It should be protected from light and stored in a tightly sealed container to prevent degradation. It is important to keep it away from heat and direct sunlight to maintain its stability.