| Identification | Back Directory | [Name]
3-[(3AS,4S,7AS)-7A-METHYL-1,5-DIOXOOCTAHYDRO-1H-INDEN-4-YL]PROPIONIC ACID | [CAS]
1944-63-4 | [Synonyms]
9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid
1,5-Dioxo-7aβ-Methyl-3aα-hexahydroindane-4α-propionic Acid
"1,5-Dioxo-7a-β-methyl-3aa-hexahydroindane-4a-propionic Acid"
Dicetolic Acid 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid
1H-Indene-4-propanoicacid, octahydro-7a-Methyl-1,5-dioxo-, (3aS,4S,7aS)-
3-[(3AS,4S,7AS)-7A-METHYL-1,5-DIOXOOCTAHYDRO-1H-INDEN-4-YL]PROPIONIC ACID
3-[(7aS)-7a-methyl-1,5-dioxo-2,3,3a,4,6,7-hexahydroinden-4-yl]propanoic acid | [Molecular Formula]
C13H18O4 | [MOL File]
1944-63-4.mol | [Molecular Weight]
238.28 |
| Chemical Properties | Back Directory | [Boiling point ]
430.8±30.0 °C(Predicted) | [density ]
1.208±0.06 g/cm3(Predicted) | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
4.56±0.10(Predicted) | [color ]
White to Off-White | [InChI]
InChI=1S/C13H18O4/c1-13-7-6-10(14)8(2-5-12(16)17)9(13)3-4-11(13)15/h8-9H,2-7H2,1H3,(H,16,17)/t8-,9-,13-/m0/s1 | [InChIKey]
PCCFNLPWOFTZPJ-RVBZMBCESA-N | [SMILES]
C1(=O)[C@]2(C)[C@]([H])([C@H](CCC(O)=O)C(=O)CC2)CC1 |
| Hazard Information | Back Directory | [Uses]
1,5-Dioxo-7aβ-methyl-3aα-hexahydroindane-4α-propionic Acid, can be used for the novel and concise synthesis of 19-Nor-10-azasteroids, a new class of steroid 5α-reductase inhibitors. | [Definition]
ChEBI: 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid is a dioxo monocarboxylic acid that consists of hydrindane bearing two oxo substituents at positions 1 and 5, a methyl substituent at position 7a and a 2-carboxyethyl substituent at position 4 (3aS,4S,7aS-diastereomer). It has a role as a bacterial metabolite. It is a diketone, a dioxo monocarboxylic acid and a carbobicyclic compound. It is a conjugate acid of a 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oate. It derives from a hydride of a hydrindane. |
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| Company Name: |
Energy Chemical
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021-58432009 400-005-6266 |
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http://www.energy-chemical.com |
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