(3bR,9bS)-6-Hydroxy-7-isopropyl-9b-methyl-3b,4,5,9b,10,11-hexahydrophenanthro[1,2-c]furan-1(3H)-one

Basic Information

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CAS Number

74285-86-2

Molecular Formula

C20H24O3

Molecular Weight

312.41 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

Melting Point

232-233 ºC

Boiling Point

490℃/760mmHg

Density

1.21

Solubility

N/A

SMILES

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CC(C)C1=C(C2=C(C=C1)C3(CCC4=C(C3CC2)COC4=O)C)O

InChI

InChI=1S/C20H24O3/c1-11(2)12-4-6-16-14(18(12)21)5-7-17-15-10-23-19(22)13(15)8-9-20(16,17)3/h4,6,11,17,21H,5,7-10H2,1-3H3/t17-,20+/m0/s1

InChIKey

KPXIBWGPZSPABK-FXAWDEMLSA-N

LogP

3.9829000000000034

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

549

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Storage Conditions

2-8℃

Synonyms & References

English

Spectrum2_001618
A838080
(-)-triptophenolide
BCP26008
CHEMBL3039217
Hypolide (Triptophenolide)
SPBio_001655
(3bR,9bS)-6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one
s9045
DTXSID80995809
CCG-38739
Hypolide;(+)-Triptophenolide
KBio3_002756
SR-05000002569-1
DivK1c_006662
Spectrum5_000539
CHEBI:114185
KBioGR_002159
BSPBio_003528
Spectrum4_001660
74285-86-2
(+)-Triptophenolide
Spectrum3_001928
HY-N0475
AKOS015897179
Spectrum_001722
KBioSS_002202
Phenanthro(1,2-c)furan-1(3H)-one, 3b,4,5,9b,10,11-hexahydro-6-hydroxy-9b-methyl-7-(1-methylethyl)-, (3bR-trans)-
KBio2_007338
Q27195253
6-Hydroxy-9b-methyl-7-(propan-2-yl)-3b,4,5,9b,10,11-hexahydrophenanthro[1,2-c]furan-1(3H)-one

MDL Number

MFCD00210567

FAQ

What is (3bR,9bS)-6-Hydroxy-7-isopropyl-9b-methyl-3b,4,5,9b,10,11-hexahydrophenanthro[1,2-c]furan-1(3H)-one (CAS: 74285-86-2)?

This compound, with the CAS number 74285-86-2, is a complex organic molecule belonging to the class of tetrahydroisoquinolines. It has the molecular formula C16H25NO2 and is characterized by its cyclic structure, hydroxyl group, and isopropyl and methyl substituents. It is often used in chemical research due to its potential biological activity and structural versatility.

What are the main uses of (3bR,9bS)-6-Hydroxy-7-isopropyl-9b-methyl-3b,4,5,9b,10,11-hexahydrophenanthro[1,2-c]furan-1(3H)-one (CAS: 74285-86-2)?

This compound is primarily used in pharmaceutical research for its potential as a bioactive molecule. It may serve as a lead compound in drug development, particularly for neurological and cardiovascular applications. Additionally, it is used in organic synthesis and chemical studies to explore its reactivity and structural properties.

Is (3bR,9bS)-6-Hydroxy-7-isopropyl-9b-methyl-3b,4,5,9b,10,11-hexahydrophenanthro[1,2-c]furan-1(3H)-one (CAS: 74285-86-2) safe?

Safety data for this compound is limited, but it should be handled with appropriate care in a well-ventilated area. Protective measures such as gloves, goggles, and lab coats are recommended. As with many complex organic compounds, it may pose toxicity risks if ingested or inhaled, and its use should follow established safety protocols and regulations.

How should (3bR,9bS)-6-Hydroxy-7-isopropyl-9b-methyl-3b,4,5,9b,10,11-hexahydrophenanthro[1,2-c]furan-1(3H)-one (CAS: 74285-86-2) be stored?

This compound should be stored in a cool, dry, and dark place, ideally at 2-8°C. It is best kept in a sealed, airtight container to prevent moisture and air exposure. Proper storage ensures stability and minimizes the risk of degradation or unwanted reactions.