(3beta,16alpha)-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

58316-41-9

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

231-238 ºC

Boiling Point

909.877°C at 760 mmHg

Solubility

Methanol,Ethanol,DMSO

Specific Rotation

-11.5 º (c=1.0 g/100ml)

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-ORAXXRKOSA-N

LogP

1.6806000000000023

Topological Polar Surface Area

218.98999999999998 Å²

Hydrogen Bond Donor/Acceptor

9 / 13

Complexity

1500

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

2-8℃

Synonyms & References

English

Q-100669
AKOS037514824
A869478
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8R,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
SCHEMBL7523565
58316-41-9
WRYJYFCCMSVEPQ-ORAXXRKOSA-N
(3b,4a,16a)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl-6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside
MS-31418
Q63395661
CHEMBL3792981
s9303
Saikosaponin B2
HY-N0248
CHEBI:183954
CCG-270463
CS-0008279
b-D-Galactopyranoside, (3b,4a,16a)-16,23,28-trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-b-D-glucopyranosyl-
SAIKOSAPONIN B2(P)
SaikosaponinB
Saikosaponin B
Fluoro nitroaniline
Saikosaponin b2 std.
Saikosaponin BII
SAIKOSAPONINB2STANDARD
Saikosaponin-B2
SaikosaponinB2
P556
316S419

MDL Number

MFCD00210366

FAQ

What is (3beta,16alpha)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside (CAS: 58316-41-9)?

This compound is a complex triterpenoid glycoside with a specific stereochemistry. It features a oleanane skeleton with three hydroxyl groups and a unique sugar moiety (6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside). It is often used in pharmaceutical research for its potential anti-inflammatory and anti-cancer properties.

What are the main uses of (3beta,16alpha)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside (CAS: 58316-41-9)?

This compound is primarily used in pharmaceutical research and development for its potential therapeutic properties. It shows promise in anticancer and anti-inflammatory studies, but further clinical trials are needed to confirm its efficacy and safety.

Is (3beta,16alpha)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside (CAS: 58316-41-9) safe?

The safety profile of this compound is currently under investigation. It is important to follow laboratory safety protocols, wear appropriate personal protective equipment, and handle the compound in a well-ventilated environment. Storage should be in a secure, labeled container away from direct sunlight and heat sources.

How should (3beta,16alpha)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside (CAS: 58316-41-9) be stored?

Store this compound at a cool, dry place away from direct sunlight and heat sources. Maintain a stable temperature between 20-25°C and keep it in a tightly sealed container to prevent degradation. Handle with care to avoid spillage and ensure proper labeling of the storage container.