Methyl (3beta,16E)-16-(methoxymethylene)corynan-17-oate

Basic Information

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CAS Number

7729-23-9

Molecular Formula

C22H28N2O3

Molecular Weight

368.48 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

Basic Physical Properties

Physical State

Powder

Solubility

Methanol,Ethanol,Acetone,DMSO，Acetontrile

SMILES

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CCC1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=CC=CC=C34

InChI

InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17-,20+/m0/s1

InChIKey

NMLUOJBSAYAYEM-AZQGJTAVSA-N

LogP

3.8165000000000022

Topological Polar Surface Area

54.56 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

578

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

(E)-16,17-Didehydro-17-methoxy-17,18-seco-3-beta-yohimban-16-carboxylic acid methyl ester
BDBM50396011
76376-57-3
INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-alpha-(METHOXYMETHYLENE)-, METHYL ESTER, (alphaE,2S,3R,12BR)-
HY-N2193
AKOS040760133
Hirsutine
UNII-W596OF93C7
Corynan-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (3-beta,16E)-
DTXSID801045724
Q15614855
17,18-Seco-3.beta.-yohimban-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (E)-
CORYNAN-16-CARBOXYLIC ACID, 16,17-DIDEHYDRO-17-METHOXY-, METHYL ESTER, (3beta,16E)-
CHEMBL327134
17,18-SECO-3beta-YOHIMBAN-16-CARBOXYLIC ACID, 16,17-DIDEHYDRO-17-METHOXY-, METHYL ESTER, (E)-
hirsutine, (3beta,16E)-isomer
methyl (E)-2-[(2S,3R,12bR)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Corynan-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (3.beta.,16E)-
W596OF93C7
C16972
DIHYDROTESTOSTERONEBENZOATE
7729-23-9
CS-0019501
AC-34492
17,18-Seco-3-beta-yohimban-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (E)-
INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-.ALPHA.-(METHOXYMETHYLENE)-, METHYL ESTER, (.ALPHA.E,2S,3R,12BR)-
MS-25915
Methyl (E)-2-[(2S,3R,12bR)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoate
Dihydrocorynantheine
NMLUOJBSAYAYEM-CPHCKLLXSA-N
C16953

MDL Number

MFCD01750089

FAQ

What regulatory guidelines apply to Methyl (3beta,16E)-16-(methoxymethylene)corynan-17-oate (CAS: 7729-23-9)?

Methyl (3beta,16E)-16-(methoxymethylene)corynan-17-oate (CAS: 7729-23-9) is subject to the global chemical regulations such as the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH in the European Union, and the FDA and EPA guidelines in the United States. Compliance with these regulations is essential for its handling, transport, and disposal.

Are there alternatives to Methyl (3beta,16E)-16-(methoxymethylene)corynan-17-oate (CAS: 7729-23-9) in synthesis?

In synthesis, alternatives to Methyl (3beta,16E)-16-(methoxymethylene)corynan-17-oate (CAS: 7729-23-9) include similar compounds like methyl corynan-17-oate or other related corynan derivatives. These can be used as substitutes depending on the specific synthesis requirements and desired properties.

What is the market or research trend for Methyl (3beta,16E)-16-(methoxymethylene)corynan-17-oate (CAS: 7729-23-9)?

The market for Methyl (3beta,16E)-16-(methoxymethylene)corynan-17-oate (CAS: 7729-23-9) is currently growing, driven by increasing research in natural product chemistry and drug discovery. The compound shows potential as a bioactive agent, leading to increasing interest in its synthesis and application.

How should waste containing Methyl (3beta,16E)-16-(methoxymethylene)corynan-17-oate (CAS: 7729-23-9) be handled?

Waste containing Methyl (3beta,16E)-16-(methoxymethylene)corynan-17-oate (CAS: 7729-23-9) should be collected in properly labeled containers, and stored away from heat and ignition sources. For disposal, professional waste treatment facilities should be used, and the process should comply with local and national regulations to ensure environmental safety.