Account (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
- Catalog No. :
- ACNTXK577
- CAS No. :
- 1207181-63-2
- Molecular Formula :
- C40H41NO9
- Molecular Weight :
- 679.77
IUPAC Name:(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
![(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 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-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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C40H41NO9 |
| Molecular Weight | 679.77 |
| SMILES | CC1=CC[C@@H](OC(=O)C2=CC=CC=C2)[C@H]2[C@@]1(C)[C@@H](OC(=O)C1=CN=CC=C1)[C@H](OC(=O)C1=CC=CC=C1)[C@]1(C)O[C@]3(CC[C@]21C)COC(=O)C3 |
| InChI Key | GREIZWACRDERNJ-RXCLYVCLSA-N |
| Synonym | Scutebata G;3-Pyridinecarboxylic acid, (3S,4'aR,5'S,6'R,6'aR,10'R,10'aS,10'bR)-5',10'-bis(benzoyloxy)-1',2',4'a,5',6',6'a,9',10',10'a,10'b-decahydro-4'a,6'a,7',10'b-tetramethyl-5-oxospiro[furan-3(2H),3'-[3H]naphtho[2,1-b]pyran]-6'-yl ester |
| CAS No. | 1207181-63-2 |
Synthetic Route by SureRoute
2. ACNTXK577 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-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
(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