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The chemical compound "10-(3,4-Dihydroxybenzoyl)-3,4,5,6,7,8-hexahydro-2,2,7,7-tetramethyl-3α,6α,8-tris(3-methyl-2-butenyl)-9H-4aβ,8β-methano-2H-cycloocta[b]pyran-9,11-dione" is a complex organic molecule with a molecular formula of C34H44O8. It is characterized by a hexahydro-cycloocta[b]pyran core structure, which is a type of cyclic compound. The molecule features a 3,4-dihydroxybenzoyl group attached at the 10th position, indicating the presence of two hydroxyl groups on a benzene ring. Additionally, it has three 3-methyl-2-butenyl groups attached to the 3α, 6α, and 8 positions, which are alkenyl groups contributing to the complexity of the structure. The compound also includes several methyl groups and a 9,11-dione functional group, suggesting the presence of two carbonyl groups. This chemical is likely to be found in natural products or synthesized for specific applications due to its intricate structure.

52617-33-1

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52617-33-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 52617-33-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,2,6,1 and 7 respectively; the second part has 2 digits, 3 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 52617-33:
(7*5)+(6*2)+(5*6)+(4*1)+(3*7)+(2*3)+(1*3)=111
111 % 10 = 1
So 52617-33-1 is a valid CAS Registry Number.
InChI:InChI=1/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11-13,16-17,19,26-27,39-40H,14-15,18,20-21H2,1-10H3/t26-,27?,37?,38+/m1/s1

52617-33-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Isoxanthochymol

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

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More Details:52617-33-1 SDS

52617-33-1Relevant academic research and scientific papers

CRYSTAL AND MOLECULAR STRUCTURE OF ISOGARCINOL

Krishnamurthy, N.,Ravindranath, B.

, p. 2233 - 2236 (1982)

The controversy with regard to the structures of the closely related polyisoprenylated phenolic compounds, garcinol, isogarcinol, camboginol, cambogin, xanthochymol and isoxanthochymol is cleared by X-ray crystallographic analisis of the naturally occurring isogarcinol.The unusual UV spectral characteristics of the chromophore of isogarcinol are discussed.

The guttiferones, HIV-inhibitory benzophenones from Symphonia globulifera, Garcinia livingstonei, Garcinia ovalifolia and Clusia rosea

Gustafson, Kirk R.,Blunt, John W.,Munro, Murray H. G.,Fuller, Richard W.,McKee, Tawnya C.,Cardellina II, John H.,McMahon, James B.,Cragg, Gordon M.,Boyd, Michael R.

, p. 10093 - 10102 (1992)

Extracts from species of the tropical plant genera Symphonia, Garcinia and Clusia (Guttiferae) have yielded a series of new polyisoprenylated benzophenone derivatives named guttiferones A-E (1-5). Structural assignments were based on detailed spectral analysis. These compounds inhibit the cytophatic effects of in vitro HIV infection.

Total synthesis and absolute configuration assignment of MRSA active garcinol and isogarcinol

Socolsky, Cecilia,Plietker, Bernd

, p. 3053 - 3061 (2015/02/05)

A short total synthesis of (±)-garcinol and (±)-isogarcinol, two endo-type B PPAPs with reported activity against methiciline resistant Staphylococcus aureus (MRSA), is presented. The separation of framework-constructing from framework-decorating steps and the application of two highly regio- and stereoselective Pd-catalysed allylations, that is, the Pd-catalysed decarboxylative Tsuji-Trost allylation and the diastereoselective Pd-catalysed allyl-allyl cross-coupling, are key elements that allowed the total synthesis to be accomplished within 13 steps starting from acetylacetone. After separation of the enantiomers the absolute configurations of the four natural products (i.e., (-)-garcinol, (+)-guttiferone E (i.e., ent-garcinol), (-)-isogarcinol, and (+)-isoxanthochymol (i.e., ent-isogarcinol)) were assigned based on ECD spectroscopy.

Xanthochymol and Isoxanthochymol, Two Novel Polyisoprenylated Benzophenones from Gracinia xanthochymus

Rao, A. V. Rama,Ventkatswamy, G.,Yemul, S. S.

, p. 627 - 633 (2007/10/02)

Two optically active polyprenylated benzophenone derivates, (+)-xanthochymol and (+)-isoxanthochymol have been isolated from the fruits of Gracinia xanthochymus (fam.: Guttiferae).Both these compounds possess the same molecular formula, C38H50O6, and have many common features.Xanthochymol has a free enolic hydroxyl group which forms a part of the chroman ring in isoxanthochymol.Chemical and spectral evidence clearly indicate that both these compounds are derived from maclurin (2,4,6,3',5'-pentahydroxybenzophenone) in which the acetate derived phloroglucinol ringbecomes the target of attack by five "active isoprene" groups.Although, a partial structure has been suggested, the final structure for (+)-isoxanthochymol (V) has been established by X-ray analysis.Spectral evidence including 13C NMR data leads to structure (VIII) for (+)-xanthochymol which has also been arrived at independently by Blount and Williams . (+)-Xanthochymol has been smoothly converted to (+)-isoxanthochymol by acid-catalysed reactions.Bronianone isolated earlier by Ollis et al., from G. hambroniana has the same basic skeleton as xanthochymol and can be represented as X instead of having a bicyclooctene system.

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