Account (3S,4aR,5S,6R,6aR,10R,10aS,10bR)-4a,6a,7,10b-tetramethyl-10-(nicotinoyloxy)-5'-oxo-1,2,4a,4',5,5',6,6a,9,10,10a,10b-dodecahydro-2'H-spiro[benzo[f]chromene-3,3'-furan]-5,6-diyl diacetate
- Catalog No. :
- ACKCEU738
- CAS No. :
- 1207181-62-1
- Molecular Formula :
- C30H37NO9
- Molecular Weight :
- 555.62
IUPAC Name:(3S,4aR,5S,6R,6aR,10R,10aS,10bR)-4a,6a,7,10b-tetramethyl-10-(nicotinoyloxy)-5'-oxo-1,2,4a,4',5,5',6,6a,9,10,10a,10b-dodecahydro-2'H-spiro[benzo[f]chromene-3,3'-furan]-5,6-diyl diacetate
![(3S,4aR,5S,6R,6aR,10R,10aS,10bR)-4a,6a,7,10b-tetramethyl-10-(nicotinoyloxy)-5'-oxo-1,2,4a,4',5,5',6,6a,9,10,10a,10b-dodecahydro-2'H-spiro[benzo[f]chromene-3,3'-furan]-5,6-diyl diacetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3S,4aR,5S,6R,6aR,10R,10aS,10bR)-4a,6a,7,10b-tetramethyl-10-(nicotinoyloxy)-5'-oxo-1,2,4a,4',5,5',6,6a,9,10,10a,10b-dodecahydro-2'H-spiro[benzo[f]chromene-3,3'-furan]-5,6-diyl diacetate |
|---|---|
| IUPAC Name | (3S,4aR,5S,6R,6aR,10R,10aS,10bR)-4a,6a,7,10b-tetramethyl-10-(nicotinoyloxy)-5'-oxo-1,2,4a,4',5,5',6,6a,9,10,10a,10b-dodecahydro-2'H-spiro[benzo[f]chromene-3,3'-furan]-5,6-diyl diacetate |
| MDL No. | MFCD20260612 |
| Molecular Formula | C30H37NO9 |
| Molecular Weight | 555.62 |
| SMILES | CC(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(C)O[C@]3(CC[C@]2(C)[C@H]2[C@H](OC(=O)C4=CN=CC=C4)CC=C(C)[C@]12C)COC(=O)C3 |
| InChI Key | NVJGRPGPCIYGRC-LZUUMNQWSA-N |
| Synonym | barbatine C;Scutebata F;3-Pyridinecarboxylic acid, (3S,4'aR,5'S,6'R,6'aR,10'R,10'aS,10'bR)-5',6'-bis(acetyloxy)-1',2',4,4'a,5,5',6',6'a,9',10',10'a,10'b-dodecahydro-4'a,6'a,7',10'b-tetramethyl-5-oxospiro[furan-3(2H),3'-[3H]naphtho[2,1-b]pyran]-10'-yl ester |
| CAS No. | 1207181-62-1 |
Synthetic Route by SureRoute
2. ACKCEU738 Molecular Building Block Synthetic Route
(3R,4aR,5S,6R,6aR,10R,10aS,10bR)-10-(benzoyloxy)-5-hydroxy-4a,6a,7,10b-tetramethyl-5'-oxo-1,2,4a,4',5,5',6,6a,9,10,10a,10b-dodecahydro-2'H-spiro[benzo[f]chromene-3,3'-furan]-6-yl nicotinate
(3S,4aR,5S,6R,6aR,10R,10aS,10bR)-4a,6a,7,10b-tetramethyl-6-(nicotinoyloxy)-5'-oxo-1,2,4a,4',5,5',6,6a,9,10,10a,10b-dodecahydro-2'H-spiro[benzo[f]chromene-3,3'-furan]-5,10-diyl dibenzoate
(2R,3R,3aS,4R,6S,7S,8S,12S,13S,13aR,E)-3-(benzoyloxy)-7,13a-dihydroxy-6-(isobutyryloxy)-2,9,9,12-tetramethyl-5-methylene-8-(nicotinoyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulene-2,4,13-triyl triacetate