(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate

Basic Information

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CAS Number

66575-29-9

Molecular Formula

C22H34O7

Molecular Weight

410.51 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

223.0 to 227.0 deg-C

Boiling Point

520 ºC

Density

1.23

Water Solubility

Soluble in ethanol, dimethylsulfoxide and chloroform. Insolule in water.

Flash Point

172 ºC

Solubility

DMSO: 5 mg/mL stable at least 6 months at room temperature

Refractive Index

1.5300 (estimate)

Specific Rotation

D25 -26.19° (c = 1.68 in CHCl3)

SMILES

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CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O

InChI

InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1

InChIKey

OHCQJHSOBUTRHG-KGGHGJDLSA-N

LogP

1.5198999999999998

Topological Polar Surface Area

113.29 Å²

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

747

Safety Information

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GHS Hazard Pictograms

H303

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

Storage Conditions

2-8℃

Synonyms & References

English

DB02587
L-751362B
Ocufors
XF165211
BRD-K09602097-001-04-5
Forskolin - 40%
FOK
OHCQJHSOBUTRHG-KGGHGJDLSA-N
NSC 357088
FORSKOLIN (CONSTITUENT OF FORSKOHLII) [DSC]
MFCD00082317
C22H34O7
s2449
M-410
[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl]acetate
Forskolin (GMP)
Tox21_110940_1
MLS-0318096.0001
NCGC00024996-02
COLFORSIN [WHO-DD]
[3R-(3a,4ab,5b,6b,6aa,10a,10ab,10ba)]-5-(Acetyloxy)-3-e thenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one
Colforsin [USAN:INN]
F0855
NSC-375489
NCGC00024996-05
Colforsin (USAN/INN)
Q412747
COLFORSIN [MI]
Tox21_302399
1H-Naphtho(2,1-b)pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-
NCGC00024996-07

MDL Number

MFCD00082317

FAQ

What is (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate (CAS: 66575-29-9)?

This is a complex organic compound with the CAS number 66575-29-9. It contains multiple stereocenters and functional groups, including hydroxyl, methyl, and acetyl groups. The structure features a chroman ring system with a side chain containing a vinyl group. It is known for its potential biological activity and is often studied in pharmaceutical research for its pharmacological properties.

What are the main uses of (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate (CAS: 66575-29-9)?

This compound is primarily used in pharmaceutical research for its potential as a bioactive molecule. It may be explored for applications in drug development, particularly in areas related to anti-inflammatory or neuroprotective agents. It is also used in organic synthesis as a building block for more complex chemical structures.

Is (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate (CAS: 66575-29-9) safe?

Safety information for this compound is limited, but as with many complex organic chemicals, it should be handled with care. It is advisable to follow standard laboratory safety protocols, including the use of personal protective equipment (PPE), to minimize exposure. Further toxicological studies are required to fully determine its safety profile.

How should (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate (CAS: 66575-29-9) be stored?

This compound should be stored in a cool, dry, and dark place, away from moisture and light. It is recommended to keep it in a tightly sealed container, preferably made of glass or inert material, to maintain stability. Storage conditions should be controlled to prevent degradation, typically at temperatures below 25°C and with humidity levels below 60%.