(4Z)-1a,5-Dimethyl-8-methylene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one

Basic Information

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CAS Number

20554-84-1

Molecular Formula

C15H20O3

Molecular Weight

248.32 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

Basic Physical Properties

Physical State

Powder

Melting Point

115-116 °C

Boiling Point

394.1±42.0 °C at 760 mmHg

Density

1.1±0.1 g/cm3

Flash Point

166.3±22.5 °C

Refractive Index

1.533

Specific Rotation

D20 -81.4° (c = 1.04 in chloroform); D22 -71.4° (c = 0.220 in CH2Cl2)

SMILES

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CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C

InChI

InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-

InChIKey

KTEXNACQROZXEV-UITAMQMPSA-N

LogP

2.7620000000000013

Topological Polar Surface Area

38.83 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

437

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

partenolide
PARTHENOLIDE (CONSTITUENT OF FEVERFEW) [DSC]
BSPBio_000599
EX-A5460
BCBcMAP01_000041
MLS002153872
BCP10404
PARTHENOLIDE [INCI]
PARTHENOLIDE [WHO-DD]
HMS1361B10
HMS1989B10
NSC-157035
AS-17479
MFCD00134592
BSPBio_001308
GTPL12428
NCGC00163415-01
parthenolide-(alternate-stereo)
Q-100253
CCG-208244
CHEMBL465158
(-)-Parthenolide
BDBM50552137
Prestwick3_000550
(3aS,9aR,10aR,10bS,E)-6,9a-dimethyl-3-methylene-3a,4,5,8,9,9a,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-b]furan-2(3H)-one
PTL
(1S,2R,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
CS-1919
Prestwick2_000550
4,5-alpha-Epoxy-6-beta-hydroxygermacra-1(10),11(13)-dien-12-oic acid gamma-lactone
NCGC00163415-04

MDL Number

MFCD00134592

Customs Code

29322090

FAQ

What is (4Z)-1a,5-Dimethyl-8-methylene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one (CAS: 20554-84-1)?

This is a complex organic compound with the CAS number 20554-84-1. It features a fused ring system of oxirene and cyclodecafuranone, containing a 4Z double bond, methyl groups at positions 1a and 5, and a methylene bridge at position 8. Its molecular formula is C12H20O3, and it exhibits specific stereochemical properties, making it a potential candidate for pharmaceutical or synthetic applications.

What are the main uses of (4Z)-1a,5-Dimethyl-8-methylene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one (CAS: 20554-84-1)?

This compound is primarily used in pharmaceutical research as an intermediate for drug synthesis. It may also find applications in organic chemistry for creating complex molecules, and its unique structure is relevant in studies related to bioactive compounds, metabolic pathways, and chemical reactivity. Specific industrial or commercial uses are not widely documented.

Is (4Z)-1a,5-Dimethyl-8-methylene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one (CAS: 20554-84-1) safe?

Safety data for this compound is limited, but as a complex organic molecule, it may pose health risks. Precautions include wearing personal protective equipment (PPE) and avoiding inhalation or skin contact. It is advisable to follow standard laboratory safety protocols and consult regulatory guidelines (e.g., OSHA, EPA) for handling and disposal to ensure safe usage.

How should (4Z)-1a,5-Dimethyl-8-methylene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one (CAS: 20554-84-1) be stored?

This compound should be stored in a cool, dry place away from light. Maintain storage temperature below 25°C and humidity levels under 60% to preserve stability. Use airtight containers made of glass or HDPE, and keep it in a well-ventilated area. Avoid exposure to air and moisture to prevent degradation.