(2R,3R,4S,5R,6R)-2-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Basic Information

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CAS Number

68144-21-8

Molecular Formula

C52H84O21

Molecular Weight

1045.2 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

1.44

SMILES

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CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C7C(CC(OC78CC6(C5(CCC4C3(C)C)C)CO8)C=C(C)C)(C)O)C)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(CO1)O)O)O)O)O)O

InChI

InChI=1S/C52H84O21/c1-22(2)15-24-16-50(8,63)42-25-9-10-30-48(6)13-12-31(47(4,5)29(48)11-14-49(30,7)51(25)20-52(42,73-24)66-21-51)69-45-41(72-44-38(62)35(59)32(56)23(3)67-44)39(27(55)19-65-45)70-46-40(36(60)34(58)28(17-53)68-46)71-43-37(61)33(57)26(54)18-64-43/h15,23-46,53-63H,9-14,16-21H2,1-8H3/t23-,24+,25-,26-,27+,28-,29+,30-,31+,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43+,44-,45+,46+,48+,49-,50+,51+,52+/m1/s1

InChIKey

OAVAUZCEOWCYCC-JHTONXGASA-N

LogP

-0.5423999999999911

Topological Polar Surface Area

314.83 Å²

Hydrogen Bond Donor/Acceptor

11 / 21

Complexity

2010

Synonyms & References

English

(2E)-2-[(4-Ethylphenyl)methylene]hydrazinecarbothioamide
HY-N2047
AKOS040760493
JUJUBOSIDE B1
CS-0018537
1334179-95-1
68144-21-8
a-L-Arabinopyranoside, (3b,16b,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-ylO-6-deoxy-a-D-galactopyranosyl-(1®2)-O-[O-b-D-xylopyranosyl-(1®2)-b-D-glucopyranosyl-(1®3)]-
a-L-Arabinopyranoside, (3b,16b,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-ylO-6-deoxy-a...
jujuboside B (Compound I)
(3beta,16beta,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-alpha-D-galactopyranosyl-(1-2)-O-[O-beta-D-xylopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)]-alpha-L-arabinopyranoside

MDL Number

MFCD28009139

FAQ

What regulatory guidelines apply to (2R,3R,4S,5R,6R)-2-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol (CAS: 68144-21-8)?

This compound falls under the purview of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous substances. It is also regulated under the European Union's REACH (Registration, Evaluation, Authorisation, and Restriction of Chemicals) regulations, as well as FDA and EPA guidelines. Specific safety and handling guidelines must be adhered to, including proper storage, transport, and disposal, to ensure worker safety and environmental protection.

Are there alternatives to (2R,3R,4S,5R,6R)-2-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol (CAS: 68144-21-8) in synthesis?

While specific alternatives may not be readily available, researchers often explore structural analogs and isomers as alternatives. Commonly, substitute reagents like diols, amino acids, or other cyclic ethers can be used depending on the specific synthetic pathway. It is crucial to evaluate the structural and functional properties of these alternatives to ensure they meet the desired requirements for the application.

What is the market or research trend for (2R,3R,4S,5R,6R)-2-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol (CAS: 68144-21-8)?

Research in this area is currently focused on understanding the biological activity and potential therapeutic applications of this compound. Market trends suggest an increasing interest in its use as a precursor or intermediate in the synthesis of more complex natural products and pharmaceuticals. Price trends indicate that due to its complex structure and limited availability, the compound is relatively expensive. However, ongoing research could lead to more efficient synthesis methods and cost reductions.

How should waste containing (2R,3R,4S,5R,6R)-2-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol (CAS: 68144-21-8) be handled?

Waste containing this compound should be collected in appropriate containers and stored in a well-ventilated area. For incineration, professional waste disposal services should be utilized to ensure compliance with environmental regulations. Safe handling procedures include wearing personal protective equipment (PPE) and following local, regional, and national disposal guidelines to prevent environmental contamination and ensure worker safety.