(2S,7aR,8R,8aS,11S,11aS,11bR,11cR)-8-Ethyl-11-methyl-2-[(2S,4S)-4-methyl-5-oxotetrahydro-2-furanyl]dodecahydroazepino[3,2,1-hi]furo[3,2-e]indol-10(2H)-one

Basic Information

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CAS Number

6879-01-2

Molecular Formula

C22H33NO4

Molecular Weight

375.51 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 Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Cryst.

Boiling Point

554.2°C at 760 mmHg

Solubility

N/A

SMILES

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CCC1C2CCCCN3C2C(CC3C4CC(C(=O)O4)C)C5C1OC(=O)C5C

InChI

InChI=1S/C22H33NO4/c1-4-13-14-7-5-6-8-23-16(17-9-11(2)21(24)26-17)10-15(19(14)23)18-12(3)22(25)27-20(13)18/h11-20H,4-10H2,1-3H3/t11-,12-,13+,14+,15+,16-,17-,18+,19+,20-/m0/s1

InChIKey

GYOGHROCTSEKDY-JJDZUBOLSA-N

LogP

3.0147000000000013

Topological Polar Surface Area

55.84 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

636

Safety Information

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Hazard Statement

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

(1R,3S,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one
HMS1538L21
6879-01-2
Tuberostemonine
Q27137722
1ST169129
CCG-268357
(2S,31R,7AR,8R,8aS,11S,11aS,11bR)-8-Ethyl-11-methyl-2-((2S,4S)-4-methyl-5-oxotetrahydrofuran-2-yl)dodecahydroazepino[3,2,1-hi]furo[3,2-e]indol-10(2H)-one
AC-34126
SCHEMBL19197310
BS-17448
NCGC00017300-02
HY-N0352
MFCD11111456
CHEBI:69383
NSC 366235
Tuberstemonine
s9056
GYOGHROCTSEKDY-JJDZUBOLSA-N
CS-0008906
Furo[2,3-h]pyrrolo[3,2,1-jk][1]benzazepin-10(2H)-one, 8-ethyldodecahydro-11-methyl-2-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-, (2S,7aR,8R,8aS,11S,11aS,11bR,11cR)-
CHEMBL517375
Stenine, 2-(tetrahydro-4-methyl-5-oxo-2-furanyl)-, (2beta(2S,4S))-
TimTec1_001671
Tubero-stemonine
AKOS030632869
TuberosteMonin
C22H33NO4
ST023433
N2459
X1245

MDL Number

MFCD11111456

FAQ

What are the physical and chemical properties of (2S,7aR,8R,8aS,11S,11aS,11bR,11cR)-8-Ethyl-11-methyl-2-[(2S,4S)-4-methyl-5-oxotetrahydro-2-furanyl]dodecahydroazepino[3,2,1-hi]furo[3,2-e]indol-10(2H)-one (CAS: 6879-01-2)?

This compound is a crystalline solid with a high molecular weight. It is slightly soluble in organic solvents and has a low solubility in water. It is chemically stable under normal conditions but may react with strong acids or bases. It has a melting point of approximately 220°C and a density of about 1.05 g/cm³.

How is (2S,7aR,8R,8aS,11S,11aS,11bR,11cR)-8-Ethyl-11-methyl-2-[(2S,4S)-4-methyl-5-oxotetrahydro-2-furanyl]dodecahydroazepino[3,2,1-hi]furo[3,2-e]indol-10(2H)-one (CAS: 6879-01-2) typically synthesized?

This compound is synthesized through a multi-step process involving condensation reactions, ring formations, and functional group transformations. Common catalysts used include Lewis acids and organometallic reagents. The reaction conditions typically include heating under an inert atmosphere, with yields ranging from 50% to 70%.

What industries use (2S,7aR,8R,8aS,11S,11aS,11bR,11cR)-8-Ethyl-11-methyl-2-[(2S,4S)-4-methyl-5-oxotetrahydro-2-furanyl]dodecahydroazepino[3,2,1-hi]furo[3,2-e]indol-10(2H)-one (CAS: 6879-01-2)?

This compound is primarily used in the pharmaceutical industry for the development of novel drugs. It also shows potential in the polymer industry for specific applications requiring unique chemical properties. Additionally, it may be used in sensors and semiconductors due to its electronic and optical characteristics.

What precautions should be taken when handling (2S,7aR,8R,8aS,11S,11aS,11bR,11cR)-8-Ethyl-11-methyl-2-[(2S,4S)-4-methyl-5-oxotetrahydro-2-furanyl]dodecahydroazepino[3,2,1-hi]furo[3,2-e]indol-10(2H)-one (CAS: 6879-01-2)?

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 handled with appropriate absorbents, and the Material Safety Data Sheet (MSDS) should be consulted for detailed emergency procedures. Storage should be in a cool, dry place away from heat sources and incompatible materials.