(3beta,16beta)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside

Basic Information

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CAS Number

58558-08-0

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

Melting Point

235-238 ºC

Solubility

Methanol

SMILES

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CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC5=C6CC(CCC6(C(CC54C)O)CO)(C)C)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O

InChI

InChI=1S/C42H68O13/c1-21-29(47)34(55-35-32(50)31(49)30(48)24(18-43)53-35)33(51)36(52-21)54-28-11-12-38(4)25(39(28,5)19-44)10-13-40(6)26(38)9-8-22-23-16-37(2,3)14-15-42(23,20-45)27(46)17-41(22,40)7/h8-9,21,24-36,43-51H,10-20H2,1-7H3/t21-,24-,25-,26-,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,38+,39+,40-,41-,42-/m1/s1

InChIKey

WRYJYFCCMSVEPQ-MNIDVGFKSA-N

LogP

1.6806000000000008

Topological Polar Surface Area

218.98999999999995 Å²

Hydrogen Bond Donor/Acceptor

9 / 13

Complexity

1500

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-3,5-Dihydroxy-2-(((3S,4R,4aR,6aR,6bS,8S,8aS,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl)oxy)-6-methyltetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
AKOS025311526
Q-100676
saikosaponin B1
b-D-Galactopyranoside,(3b,4a,16b)-16,23,28-trihydroxyoleana-11,13(18)-dien-3-yl6-deoxy-3-O-b-D-glucopyranosyl-
SCHEMBL7518825
CS-0008278
HY-N0247
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8S,8aS,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CHEMBL3613729
58558-08-0
Saikosaponin B1
(3b,4a,16b)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl-6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside
SaikosaponinB
HMDO
ko08
KS66
pdms
pms1.5
pns25
SAG Antifoam
sf-96
saikosaponin B
P555
N1888
558S080

MDL Number

MFCD00664306

FAQ

What is (3beta,16beta)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside (CAS: 58558-08-0)?

This compound is a complex triterpenoid glycoside characterized by its structure containing a oleanane skeleton with multiple hydroxyl groups and a glycosylated aglycone. It is known for its potential biological activities and is commonly found in certain medicinal plants. The chemical formula is C35H62O13, and it exhibits solubility in polar solvents, with typical physical properties such as a solid state at room temperature.

What are the main uses of (3beta,16beta)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside (CAS: 58558-08-0)?

This compound is primarily used in pharmaceutical research for its potential anti-inflammatory and immunomodulatory properties. It may also be studied for applications in natural product chemistry and drug development. Additionally, it is of interest in biochemical studies related to plant-derived compounds and their biological functions.

Is (3beta,16beta)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside (CAS: 58558-08-0) safe?

The safety of this compound has not been extensively evaluated for widespread use. However, as a natural derivative, it is generally considered to have low toxicity when used in controlled research settings. Proper handling, including use of personal protective equipment, is recommended to ensure safety during experimental work.

How should (3beta,16beta)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside (CAS: 58558-08-0) be stored?

This compound should be stored in a cool, dry, and dark place, ideally at 4°C to maintain its stability. It is sensitive to moisture and light, so it should be kept in airtight containers and protected from environmental factors that may degrade its structure. Proper ventilation is also recommended during handling.