(3beta,22beta)-22,24-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid | CAS No. 51330-27-9

(3beta,22beta)-22,24-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid

Basic Information

CAS Number

51330-27-9

Molecular Formula

C48H78O18

Molecular Weight

943.13 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

238-240°C

Solubility

ethanol: soluble1mg/mL, clear, colorless

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O

InChI

InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1

InChIKey

PTDAHAWQAGSZDD-IOVCITQVSA-N

LogP

0.7046000000000152

Topological Polar Surface Area

294.97999999999996 Ų

Hydrogen Bond Donor/Acceptor

11 / 18

Complexity

1820

Safety Information

View Safety Information

Storage Conditions

-20℃

Synonyms & References

English

  • SCM 3B
  • beta-D-Glucopyranosiduronic acid, (3beta,4beta,22beta)-22,23-dihydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-galactopyranosyl-(1-2)-
  • b-D-Glucopyranosiduronic acid, (3b,4b,22b)-22,23-dihydroxyolean-12-en-3-yl O-6-deoxy-.alpha.-L-mannopyranosyl-(1.2)-O-.beta.-D-galactopyranosyl-(1.2)-
  • Q27108314
  • SoyasaponinBb
  • CHEMBL511016
  • CCRIS 6617
  • CHEBI:9211
  • Soyasaponin Bb
  • O0587
  • 51330-27-9
  • Soyasaponin I
  • Oleanane, b-D-glucopyranosiduronic acid deriv.
  • 1ST159397
  • SCHEMBL397064
  • MFCD02752366
  • Soyasaponin Bb(Soyasaponin I)
  • AC-34174
  • C08983
  • PTDAHAWQAGSZDD-IOVCITQVSA-N
  • Q-100575
  • DTXSID901031429
  • (3beta,22beta)-22,24-dihydroxyolean-12-en-3-yl alpha-L-rhamnopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid
  • Soyasaponin-Bb
  • MS-31761
  • HY-N0310
  • Soybean saponin fraction B1
  • (3beta,22beta)-22,24-dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid
  • soyasaponin 1
  • (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
  • AKOS030530134

MDL Number

MFCD02752366

FAQ

What are the physical and chemical properties of (3beta,22beta)-22,24-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid (CAS: 51330-27-9)?

It is a complex triterpene with a molecular weight of approximately 1047.45 g/mol. This compound is poorly soluble in water but soluble in organic solvents. It exhibits moderate reactivity in acidic and basic conditions. It crystallizes in a hexagonal form with a specific crystal structure.

How is (3beta,22beta)-22,24-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid (CAS: 51330-27-9) typically synthesized?

The compound can be synthesized through a series of enzymatic and chemical reactions involving oleanolic acid as the starting material. Commonly, this involves esterification, glycosylation, and desaturation steps, facilitated by enzymes and chemical catalysts. The yield and selectivity of the reaction can be optimized by adjusting reaction conditions.

What industries use (3beta,22beta)-22,24-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid (CAS: 51330-27-9)?

This compound has potential applications in the pharmaceutical industry for its possible medicinal properties. It may also be used in the development of biosensors and as a precursor in the synthesis of other complex molecules. However, its exact industrial applications require further research and development.

What precautions should be taken when handling (3beta,22beta)-22,24-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid (CAS: 51330-27-9)?

Handling this compound should be done with appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area, preferably a fume hood. Spills should be cleaned up carefully, and the Material Safety Data Sheet (MSDS) should be consulted for specific handling instructions and emergency procedures. Storage should be in a cool, dry place away from direct sunlight and heat sources.

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