(1R,3S,15S,18R,19S,20S,21S,22R,23S,24S,25S,26R)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-15,26-dihydroxy-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~]h exacosa-7,9,11-trien-19-yl benzoate

Basic Information

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CAS Number

37239-51-3

Molecular Formula

C43H49NO19

Molecular Weight

883.85 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

Boiling Point

895.5°Cat760mmHg

Density

1.44

Flash Point

495.4°C

Solubility

N/A

Refractive Index

1.597

SMILES

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CC(=O)OCC12C(C(C3C(C14C(C(C(C2OC(=O)C)OC(=O)C5=CC=CC=C5)OC(=O)C(CCC6=C(C=CC=N6)C(=O)OCC3(O4)C)(C)O)(C)O)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(58-23(3)47)43(42)41(8,54)33(31(35(42)60-25(5)49)61-36(50)26-13-10-9-11-14-26)62-38(52)39(6,53)17-16-28-27(15-12-18-44-28)37(51)56-19-40(29,7)63-43/h9-15,18,29-35,53-54H,16-17,19-20H2,1-8H3/t29-,30-,31+,32-,33+,34-,35+,39-,40+,41+,42-,43+/m0/s1

InChIKey

XQDBHSNYTFRCNJ-IFRYCGPYSA-N

LogP

1.2714000000000036

Topological Polar Surface Area

272.97999999999996 Å²

Hydrogen Bond Donor/Acceptor

2 / 20

Complexity

1850

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Wtlfordine
[20,22,23,25-Tetraacetyloxy-21-(acetyloxymethyl)-15,26-dihydroxy-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
NS00067908
37239-51-3
AKOS040760753
BCP13065
1ST159326
Evonimine, 8-(acetyloxy)-O2-benzoyl-O2-deacetyl-8-deoxo-26-hydroxy-, (8.alpha.)-
XQDBHSNYTFRCNJ-UHFFFAOYSA-N
Wilfordine
FT-0698332
CID 540150
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-18,21-dihydroxy-8,18,21-trimethyl-,(8R,9R,10R,11S,12S,13R,14R,15S,21S,22S,23R)-
8,11-Epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)...
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(ace
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-d
WILFORDIN
(8R,9R,10R,11S,12S,13R,14R,15S,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-18,21-dihydroxy-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
[(1S,3S,18S,19R,20R,21R,22S,25R)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-15,26-dihydroxy-3,1
Wilfordin,Evonimine, 8-(acetyloxy)-O2-benzoyl-O2-deacetyl-8-deoxo-26-hydroxy-, (8α)-

MDL Number

MFCD20133904

FAQ

What are the physical and chemical properties of (1R,3S,15S,18R,19S,20S,21S,22R,23S,24S,25S,26R)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-15,26-dihydroxy-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~]h

This compound is characterized by a high molecular weight due to its complex structure. It exhibits low solubility in water but is more soluble in organic solvents like dichloromethane and acetonitrile. It is known for its reactivity towards nucleophiles and electrophiles, showing potential in organic synthesis. The compound crystallizes in a form that is stable at room temperature. Its CAS number is 37239-51-3.

How is (1R,3S,15S,18R,19S,20S,21S,22R,23S,24S,25S,26R)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-15,26-dihydroxy-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~]h typically synthesized?

This compound is synthesized through a multi-step organic synthesis process involving the protection of functional groups, ring formation, and acetylation. Commonly, the synthesis involves the use of Lewis acids as catalysts, and the yield is moderate. Detailed procedures are published in the literature, and the CAS number is 37239-51-3.

What industries use (1R,3S,15S,18R,19S,20S,21S,22R,23S,24S,25S,26R)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-15,26-dihydroxy-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~]h?

This compound finds application in pharmaceutical industries for its potential as a precursor in drug synthesis. It is also used in the development of sensors and semiconductors due to its chemical properties. Its CAS number is 37239-51-3.

What precautions should be taken when handling (1R,3S,15S,18R,19S,20S,21S,22R,23S,24S,25S,26R)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-15,26-dihydroxy-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~]h?

When handling this compound, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Safety data sheets (SDS) should be consulted for detailed information. Its CAS number is 37239-51-3.