(3beta)-3,23-Dihydroxyolean-12-en-28-oic acid

Basic Information

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CAS Number

465-99-6

Molecular Formula

C30H48O4

Molecular Weight

472.71 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Melting Point

334°C

Boiling Point

589.4℃ at 760mmHg

Solubility

methanol: soluble1mg/mL

Refractive Index

1.4800 (estimate)

Specific Rotation

D20 +81° (c = 0.7 in pyridine)

SMILES

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

InChI

InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1

InChIKey

PGOYMURMZNDHNS-MYPRUECHSA-N

LogP

6.2060000000000075

Topological Polar Surface Area

77.75999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

908

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

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

Storage Conditions

2-8℃

Synonyms & References

English

Hederagenin
(3-beta,4-alpha)-3,23-dihydroxyolean-12-en-28-oicacid
3,23-dihydroxy-,(3-beta,4-alpha)-olean-12-en-28-oicaci
3-beta,23-dihydroxy-olean-12-en-28-oicaci
astrantiagenine
hederagenicacid
hederagenol
MELANTHIGENIN
CAULOSAPOGENIN
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
HEDERAGENIN(AS)
HEDERAGENIN(RG) PrintBack
Olean-12-en-28-oicacid, 3,23-dihydroxy-, (3b,4a)-
(3beta,4alpha)-3,23-Dihydroxyolean-12-en-28-oic acid
23-hydroxyoleanolic acid
3,23-Dihydroxyolean-12-en-28-acid
3,23-dihydroxyolean-12-en-28-oic acid
EINECS 207-369-9
3β,4α-3,23-Dihydroxyolean-12-en-28-oic Acid
[ "" ]
Astrantiagenin E
Hederagenic acid
4-epi-hederagenin
RQF57J8212
Caulosapogenin,Hederagenic acid,Hederagenine,Hederagenol,Astrantiagenin E,NSC 24954

MDL Number

MFCD00017385

FAQ

What is (3beta)-3,23-Dihydroxyolean-12-en-28-oic acid (CAS: 465-99-6)?

(3beta)-3,23-Dihydroxyolean-12-en-28-oic acid (CAS: 465-99-6) is a triterpenoid compound derived from the oleanane skeleton. It has the chemical formula C30H48O5 and is characterized by its hydroxyl groups at positions 3 and 23, along with a carboxylic acid group at 28. This compound is a natural product found in certain plants and exhibits structural similarity to oleanolic acid, which is known for its pharmacological properties.

What are the main uses of (3beta)-3,23-Dihydroxyolean-12-en-28-oic acid (CAS: 465-99-6)?

(3beta)-3,23-Dihydroxyolean-12-en-28-oic acid (CAS: 465-99-6) is primarily used in pharmaceutical research as a potential precursor for drug development, particularly in anti-inflammatory and hepatoprotective studies. It also serves as a chemical intermediate in the synthesis of bioactive compounds and is utilized in academic research for structural analysis and metabolic pathway studies due to its unique oleanane framework.

Is (3beta)-3,23-Dihydroxyolean-12-en-28-oic acid (CAS: 465-99-6) safe?

The safety of (3beta)-3,23-Dihydroxyolean-12-en-28-oic acid (CAS: 465-99-6) depends on its application and exposure level. While it is generally considered safe in controlled research settings, it may cause mild skin irritation or respiratory discomfort if mishandled. Proper protective equipment, such as gloves and safety goggles, should be used during handling, and adherence to standard chemical safety protocols is recommended to minimize risks.

How should (3beta)-3,23-Dihydroxyolean-12-en-28-oic acid (CAS: 465-99-6) be stored?

(3beta)-3,23-Dihydroxyolean-12-en-28-oic acid (CAS: 465-99-6) should be stored in a cool, dry, and dark environment to maintain stability. It is typically kept in a sealed container to prevent moisture absorption and contamination. Storage conditions should avoid exposure to air and light to preserve its chemical integrity, and it is recommended to store below 25°C to ensure long-term retention of its properties.