(3beta,13alpha,16alpha,17alpha)-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

20874-52-6

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

Density

1.3600

Solubility

Methanol,Ethanol,DMSO,Acetontrile

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-LCSVLAELSA-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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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

UNII-UR635J3F00
beta-D-Galactopyranoside, (3beta,4alpha,16alpha)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-
CCG-270465
AKOS016034270
CHEMBL3613719
SCHEMBL929710
Q27291219
Saikosaponin D
s5454
KYWSCMDFVARMPN-LCSVLAELSA-N
DTXSID301317467
Saikosaponin D from Bupleurum falcatnum
Q-100262
MFCD09028095
UR635J3F00
20874-52-6
HY-N0250
CS-0008281
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2R,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
Saikosaponins
beta-D-Galactopyranoside, (3beta,4alpha,16alpha)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl
.BETA.-D-GALACTOPYRANOSIDE, (3.BETA.,4.ALPHA.,16.ALPHA.)-13,28-EPOXY-16,23-DIHYDROXYOLEAN-11-EN-3-YL 6-DEOXY-3-O-.BETA.-D-GLUCOPYRANOSYL-
(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
Saikoside d
saikosaponin
saikosaponins
Saikosaponian D
SAILKOSAPONIN D
SAILKOSAPONINS D
SAIKOSAPONIN D(RG)
SAIKOSAPONIN B2(P)

MDL Number

MFCD09028095

Customs Code

29389090

FAQ

What is (3beta,13alpha,16alpha,17alpha)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside (CAS: 20874-52-6)?

This compound is a complex glycosylated oleanane triterpene, commonly found in certain plant sources. It has the molecular formula C34H58O12 and is characterized by its hydroxyl and epoxy functional groups. The compound exhibits structural complexity due to its multiple stereocenters and glycosidic linkages, which contribute to its biological activity and chemical behavior.

What are the main uses of (3beta,13alpha,16alpha,17alpha)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside (CAS: 20874-52-6)?

This compound is primarily used in pharmaceutical research for its potential anti-inflammatory and immunomodulatory properties. It may also serve as a bioactive molecule in natural product studies and has applications in the development of plant-derived drugs. Additionally, it is used in biochemical assays to investigate molecular interactions and cellular responses.

Is (3beta,13alpha,16alpha,17alpha)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside (CAS: 20874-52-6) safe?

Safety data for this compound is limited, but it is generally considered non-toxic in low concentrations. As a natural compound, it may have some biocompatibility, but proper handling is still recommended to avoid exposure. Users should follow standard laboratory safety protocols, including the use of gloves and protective eyewear, when working with this substance.

How should (3beta,13alpha,16alpha,17alpha)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside (CAS: 20874-52-6) be stored?

This compound should be stored in a cool, dry place away from direct light. It is best kept in a sealed, airtight container at a temperature below 25°C and humidity levels below 60%. Avoid exposure to moisture and contaminants to maintain stability and prevent degradation.