Account 8a-(acetoxymethyl)-5,6-dimethyl-5-(2-((2-methylbutanoyl)oxy)-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)octahydro-2H-spiro[naphthalene-1,2'-oxirane]-4,8-diyl diacetate
- Catalog No. :
- ACGJMC308
- CAS No. :
- 123313-59-7
- Molecular Formula :
- C31H44O11
- Molecular Weight :
- 592.68
IUPAC Name:8a-(acetoxymethyl)-5,6-dimethyl-5-(2-((2-methylbutanoyl)oxy)-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)octahydro-2H-spiro[naphthalene-1,2'-oxirane]-4,8-diyl diacetate
![8a-(acetoxymethyl)-5,6-dimethyl-5-(2-((2-methylbutanoyl)oxy)-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)octahydro-2H-spiro[naphthalene-1,2'-oxirane]-4,8-diyl diacetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 8a-(acetoxymethyl)-5,6-dimethyl-5-(2-((2-methylbutanoyl)oxy)-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)octahydro-2H-spiro[naphthalene-1,2'-oxirane]-4,8-diyl diacetate |
|---|---|
| IUPAC Name | 8a-(acetoxymethyl)-5,6-dimethyl-5-(2-((2-methylbutanoyl)oxy)-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)octahydro-2H-spiro[naphthalene-1,2'-oxirane]-4,8-diyl diacetate |
| Molecular Formula | C31H44O11 |
| Molecular Weight | 592.68 |
| SMILES | CCC(C)C(=O)OC(CC1(C)C(C)CC(OC(C)=O)C2(COC(C)=O)C1C(OC(C)=O)CCC21CO1)C1=CC(=O)OC1 |
| InChI Key | JPFTWOXTEMZXOG-UHFFFAOYSA-N |
| Synonym | Ajugamacrin;Ajugamacrin B;Butanoic acid, 2-methyl-, (1S)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-5-yl]-1-(2,5-dihydro-5-oxo-3-furanyl)ethyl ester, (2S)- |
| CAS No. | 123313-59-7 |
Synthetic Route by SureRoute
2. ACGJMC308 Molecular Building Block Synthetic Route
(8-acetoxy-5,6-dimethyl-5-(2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)octahydro-8aH-spiro[naphthalene-1,2'-oxiran]-8a-yl)methyl (E)-2-methylbut-2-enoate
4,4,7a,11-tetramethyl-10-oxo-3,3a,4,5,6,7,7a,7b,8,8a,10,11b-dodecahydro-2H-oxireno[2',3':1,10a]phenanthro[3,2-b]furan-5-yl acetate
4,4,7a,11-tetramethyl-10-oxo-3,3a,4,5,6,7,7a,7b,8,8a,10,11b-dodecahydro-2H-oxireno[2',3':1,10a]phenanthro[3,2-b]furan-5,7-diyl diacetate