(3beta)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->2)-alpha-L-arabinopyranosyl]oxy}olean-12-en-28-oic acid

Basic Information

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CAS Number

89412-79-3

Molecular Formula

C47H76O16

Molecular Weight

897.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

White powder

Density

1.36

Solubility

Methanol,DMSO

SMILES

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O=C([C@]12CCC(C)(C)C[C@@]1([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O[C@H]6[C@H](O[C@H]7[C@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@@H](O)[C@@H](O)CO6)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC2)O

InChI

InChI=1S/C47H76O16/c1-22-30(50)33(53)35(55)38(59-22)62-37-34(54)32(52)26(20-48)60-40(37)63-36-31(51)25(49)21-58-39(36)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1

InChIKey

VQQGPFFHGWNIGX-PPCHTBMASA-N

LogP

2.372900000000004

Topological Polar Surface Area

254.51999999999995 Å²

Hydrogen Bond Donor/Acceptor

9 / 16

Complexity

1720

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

10-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydr
3-{[6-deoxyhexopyranosyl-(1->2)hexopyranosyl-(1->2)pentopyranosyl]oxy}olean-12-en-28-oic acid
RADDEANIN A
RADDEANIN A (RG)
Pectolinarin
Raddeanin A
2)-a-L-arabinopyranosyl)oxy]-, (3b)-
2)-O-b-D-glucopyranosyl-(1&reg
2)-O-b-D-glucopyranosyl-(1&reg...
Isolate from Anemone raddeana regel
reg
Raddeanin R3
Raddeanoside R3
(3beta)-3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy]olean-12-en-28-oic acid
RADDEANIN(ANEMODEANIN) A
(4As,6aR,6aS,6bR,8aS,12aR,14bR)-10-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methylo
(3β)-3-[(O-6-Deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]olean-12-en-28-oic acid (ACI)
ARaddeanin A
NSC 382873
Raddeanin A
Raddeanin R3,Raddeanoside R3

MDL Number

MFCD10566637

FAQ

What is (3beta)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->2)-alpha-L-arabinopyranosyl]oxy}olean-12-en-28-oic acid (CAS: 89412-79-3)?

This compound is a complex triterpene acid with a unique sugar conjugated structure. It is derived from oleanolic acid, featuring a 6-deoxy-alpha-L-mannopyranosyl group, a beta-D-glucopyranosyl group, and an alpha-L-arabinopyranosyl group conjugated to the 3-position of the oleanolic acid backbone. It exhibits potential biological activities such as anti-inflammatory and antioxidant properties.

What are the main uses of (3beta)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->2)-alpha-L-arabinopyranosyl]oxy}olean-12-en-28-oic acid (CAS: 89412-79-3)?

This compound has shown potential for use in pharmaceuticals, particularly as an anti-inflammatory and antioxidant agent. It is also of interest in natural product research for its unique structure and bioactivity. However, its specific applications are still under investigation and not widely commercialized.

Is (3beta)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->2)-alpha-L-arabinopyranosyl]oxy}olean-12-en-28-oic acid (CAS: 89412-79-3) safe?

The safety of this compound is currently under investigation. No definitive toxicity studies are available. However, due to its complex structure, it is advisable to handle it with caution. Protective measures should include appropriate PPE such as gloves and goggles. Storage and handling should be in compliance with standard safety protocols.

How should (3beta)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->2)-alpha-L-arabinopyranosyl]oxy}olean-12-en-28-oic acid (CAS: 89412-79-3) be stored?

Store this compound in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to protect it from moisture and light. Handle with care to prevent spills and ensure proper ventilation. The container should be labeled clearly with the CAS number and the compound name.