CAS Number62640-05-5
Synonyms[(1S,3R,4S,4aR,8R,8aR)-8a-(acetyloxymethyl)-3,4-dimethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] acetate; [(1S,3R,4S,4aR,8R,8aR)-8a-(acetoxymethyl)-3,4-dimethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[decalin-8,2'-oxirane]-1-yl] acetate; acetic acid [(1S,3R,4S,4aR,8R,8aR)-8a-(acetoxymethyl)-3,4-dimethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-1-spiro[decalin-8,2'-oxirane]yl] ester; acetic acid [(1S,3R,4S,4aR,8R,8aR)-8a-(acetoxymethyl)-4-[2-(5-keto-2H-furan-3-yl)ethyl]-3,4-dimethyl-spiro[decalin-8,2'-oxirane]-1-yl] ester; [(1S,3R,4S,4aR,8R,8aR)-8a-(acetyloxymethyl)-3,4-dimethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] ethanoate
Molecular FormulaC23H32O7
Molecular Weight420.49600
Purity98.00%
Density1.21g/cm3
Boiling Point552.5ºC at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 62640-05-5 |
| Catalog No. | 2A-9009084 |
| Chinese Name | 筋骨草酯素I |
| Synonyms | [(1S,3R,4S,4aR,8R,8aR)-8a-(acetyloxymethyl)-3,4-dimethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] acetate; [(1S,3R,4S,4aR,8R,8aR)-8a-(acetoxymethyl)-3,4-dimethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[decalin-8,2'-oxirane]-1-yl] acetate; acetic acid [(1S,3R,4S,4aR,8R,8aR)-8a-(acetoxymethyl)-3,4-dimethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-1-spiro[decalin-8,2'-oxirane]yl] ester; acetic acid [(1S,3R,4S,4aR,8R,8aR)-8a-(acetoxymethyl)-4-[2-(5-keto-2H-furan-3-yl)ethyl]-3,4-dimethyl-spiro[decalin-8,2'-oxirane]-1-yl] ester; [(1S,3R,4S,4aR,8R,8aR)-8a-(acetyloxymethyl)-3,4-dimethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] ethanoate |
| Molecular Formula | C23H32O7 |
| Molecular Weight | 420.49600 |
| Purity | 98.00 |
| Density | 1.21g/cm3 |
| Boiling Point | 552.5ºC at 760 mmHg |
| SMILES | CC(=O)OCC12C(OC(C)=O)CC(C)C(C)(CCC3=CC(=O)OC3)C1CCCC21CO1 |
| InChI | InChI=1S/C24H34O7/c1-15-10-20(31-17(3)26)24(14-29-16(2)25)19(6-5-8-23(24)13-30-23)22(15,4)9-7-18-11-21(27)28-12-18/h11,15,19-20H,5-10,12-14H2,1-4H3/t15-,19-,20+,22+,23+,24+/m1/s1 |
| InChI Key | RNYBNBANBCQZON-PGQNDPHJSA-N |
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