(3beta,16beta)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside

Basic Information

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CAS Number

20736-09-8

Molecular Formula

C42H68O13

Molecular Weight

780.99 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Boiling Point

893.7°C at 760 mmHg

Density

1.3600

Solubility

Methanol,Pyridine,DMSO,Ethanol

SMILES

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CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC56C4(CC(C7(C5CC(CC7)(C)C)CO6)O)C)C)C)O)OC8C(C(C(C(O8)CO)O)O)O)O

InChI

InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1

InChIKey

KYWSCMDFVARMPN-MSSMMRRTSA-N

LogP

1.7769000000000035

Topological Polar Surface Area

207.98999999999998 Å²

Hydrogen Bond Donor/Acceptor

8 / 13

Complexity

1490

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

-20℃

Synonyms & References

English

09O6CAG7JV
C08975
MS-31419
Saikosaponin A
1ST40073
s5466
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
.BETA.-D-GALACTOPYRANOSIDE, (3.BETA.,4.ALPHA.,16.BETA.)-13,28-EPOXY-16,23-DIHYDROXYOLEAN-11-EN-3-YL 6-DEOXY-3-O-.BETA.-D-GLUCOPYRANOSYL-
Q7499688
16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-3-O-hexopyranosylhexopyranoside
SCHEMBL179964
HY-N0246
saikosaponin a from bupleurum falcatnum
CHEMBL3542194
HMS3886G06
DTXSID00942951
beta-D-Galactopyranoside, (3beta,4alpha,16beta)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-
20736-09-8
Q-100257
CS-0008277
CHEBI:8996
UNII-09O6CAG7JV
beta-D-Galactopyranoside, (3beta,4alpha,16beta)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl-6-deoxy-3-O-beta-D-glucopyranosyl-
AKOS015896720
CCG-270464
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[hydroxy-(hydroxymethyl)-hexamethyl-[?]yl]oxy-6-methyl-tetrahydropyran-4-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
(3beta,4alpha,16beta)-13,28-Epoxy-16,23-dihydroxyolean-11-en-3-yl-6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside
Saikosaponian A
SAILKOSAPONINS A
Saikosaponin a std.
SAILKOSAPONIN A

MDL Number

MFCD00075675

Customs Code

29389090

FAQ

What is (3beta,16beta)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside (CAS: 20736-09-8)?

This compound, with the CAS number 20736-09-8, is a complex glycosylated triterpene. It features a steroid backbone with multiple hydroxyl and epoxide groups, along with a glycosidic linkage involving beta-D-glucopyranosyl and beta-D-galactopyranoside moieties. Its molecular structure is notable for its potential biological activity and is often studied in the context of natural products and medicinal chemistry.

What are the main uses of (3beta,16beta)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside (CAS: 20736-09-8)?

This compound is primarily of interest in pharmaceutical research due to its potential anti-inflammatory and immunomodulatory properties. It is also used in the study of plant-derived bioactive compounds and may have applications in drug development targeting metabolic disorders and immune-related conditions.

Is (3beta,16beta)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside (CAS: 20736-09-8) safe?

While specific safety data for this compound may be limited, it is generally considered safe when handled properly in controlled laboratory environments. Precautions include wearing appropriate personal protective equipment (PPE) and following standard chemical safety protocols. Its use in pharmaceuticals requires evaluation for toxicity and regulatory compliance.

How should (3beta,16beta)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside (CAS: 20736-09-8) be stored?

This compound should be stored in a cool, dry, and dark place, ideally at 4°C. It is recommended to keep it in a sealed container to prevent moisture exposure and contamination. Avoid exposure to light and air to maintain its stability and integrity over time.