(1R,3S,15R,18R,19S,20S,21S,22R,23S,24S,25S,26R)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0~1,21~.0~3,24~.0~7,12~]hexaco sa-7,9,11-trien-19-yl benzoate

Basic Information

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CAS Number

11088-09-8

Molecular Formula

C43H49NO18

Molecular Weight

867.85 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

158-163 ºC

Solubility

Acetontrile,DMSO,Methanol

SMILES

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CC1CCC2=C(C=CC=N2)C(=O)OCC3(C4C(C(C5(C(C(C(C(C5(C4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C6=CC=CC=C6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C

InChI

InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(60-38(51)27-13-10-9-11-14-27)34(61-37(21)50)41(8,53)43(42,62-40)33(30)57-24(4)47/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30+,31+,32-,33+,34-,35+,36-,40-,41-,42+,43-/m1/s1

InChIKey

ZOCKGJZEUVPPPI-NCHBRQRASA-N

LogP

2.1565000000000025

Topological Polar Surface Area

252.74999999999994 Å²

Hydrogen Bond Donor/Acceptor

1 / 19

Complexity

1800

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Wilforine
ZOCKGJZEUVPPPI-UHFFFAOYSA-N
CS-3765
BCP26009
11088-09-8
NS00067863
AC-34427
MS-31603
1ST40321
S0921
[20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate
26-Deoxywilfordine
DTXSID201019937
HY-N0899
8,11-Epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione,10,13,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-,(8R,9R,10R,11S,12S,13R,14R,15S,18S,21S,22S,23R)-
8,11-Epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)...
WILFORINE
(8R,9R,10R,11S,12S,13R,14R,15S,18S,21S,22S,23R)-10,13,22,23-Tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-8,11-epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione
[ "" ]
(8α)-8-(Acetyloxy)-2-O-benzoyl-2-O-deacetyl-8-deoxoevonimine
Evonimine, 8-(acetyloxy)-O2-benzoyl-O2-deacetyl-8-deoxo-, (8α)-
(8R,9R,10R,11S,12S,13R,14R,15S,18S,21S,22S,23R)-10,13,22,23-Tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-8,11-epoxy-9,12-ethano-11,15-m
8,11-Epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione,10,13,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-,(8R,9R,10R,11S,1
[(1S,3R,15S,18S,19R,20R,21R,22S,23R,25R,26S)-20,22,23,25-Tetraacetyloxy-21-(acetyloxymethyl)-26-hydr
Evonimine, 8-(acetyloxy)-O(sup 2)-benzoyl-O(sup 2)-deacetyl-8-deoxo-, (8-alpha)-
26-Deoxywilfordine,Evonimine, 8-(acetyloxy)-O2-benzoyl-O2-deacetyl-8-deoxo-, (8α)

MDL Number

MFCD01726768

FAQ

What regulatory guidelines apply to (1R,3S,15R,18R,19S,20S,21S,22R,23S,24S,25S,26R)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0~1,21~.0~3,24~.0~7,12~]hexacos-7,9,11-trien-19-yl benzoate (CAS: 11088-09-8)?

This compound (CAS: 11088-09-8) falls under the scope of various regulatory guidelines such as REACH in the European Union, which requires manufacturers and importers to register substances with potential risks. In the United States, it would fall under the jurisdiction of the EPA, which may require specific handling and disposal methods to protect human health and the environment. Additionally, the FDA might regulate its use in specific applications, such as pharmaceuticals or food additives, if applicable.

Are there alternatives to (1R,3S,15R,18R,19S,20S,21S,22R,23S,24S,25S,26R)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0~1,21~.0~3,24~.0~7,12~]hexacos-7,9,11-trien-19-yl benzoate (CAS: 11088-09-8) in synthesis?

There are several alternatives and isomers that can be used in synthesis, depending on the specific requirements. For instance, isomers such as (1S,3R,15S,18R,19S,20S,21S,22R,23S,24S,25S,26R)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0~1,21~.0~3,24~.0~7,12~]hexacos-7,9,11-trien-19-yl benzoate can be considered. Additionally, alternative reagents such as acetyl chloride can be used as a substitute for acetic anhydride in certain reactions.

What is the market or research trend for (1R,3S,15R,18R,19S,20S,21S,22R,23S,24S,25S,26R)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0~1,21~.0~3,24~.0~7,12~]hexacos-7,9,11-trien-19-yl benzoate (CAS: 11088-09-8)?

The market trend for this compound (CAS: 11088-09-8) suggests increasing interest in its use in drug development, particularly in the synthesis of complex organic molecules. Research trends indicate a growing focus on its potential applications in pharmaceuticals and fine chemicals. However, due to its complexity, there is also a trend towards developing more efficient and sustainable synthesis methods.

How should waste containing (1R,3S,15R,18R,19S,20S,21S,22R,23S,24S,25S,26R)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0~1,21~.0~3,24~.0~7,12~]hexacos-7,9,11-trien-19-yl benzoate (CAS: 11088-09-8) be handled?

Waste containing this compound should be handled in accordance with local and international regulations. It is recommended to collect the waste in appropriate containers and ensure proper labeling. For disposal, professional waste disposal services should be used, as this compound may require incineration under controlled conditions to minimize environmental impact. Strict adherence to safety guidelines is essential to prevent exposure and environmental contamination.