Account Acerinol
- Catalog No. :
- ACBAIB952
- CAS No. :
- 19902-53-5
- Molecular Formula :
- C30H46O5
- Molecular Weight :
- 486.69
IUPAC Name:(2S,3R,5R,5aR,5bR,8aS,11S,12aS,14bR,15R,15aS)-2-(2-hydroxypropan-2-yl)-5,5b,12,12,14b-pentamethyl-2,3,4,5,5a,5b,6,7,8,9,10,11,12,12a,13,14,14b,15-octadecahydro-3,15a:8a,11-diepoxybenzo[4',5']cyclohepta[1',2':4,5]indeno[2,1-b]oxepin-15-ol
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Product Information
| Product Name | Acerinol |
|---|---|
| IUPAC Name | (2S,3R,5R,5aR,5bR,8aS,11S,12aS,14bR,15R,15aS)-2-(2-hydroxypropan-2-yl)-5,5b,12,12,14b-pentamethyl-2,3,4,5,5a,5b,6,7,8,9,10,11,12,12a,13,14,14b,15-octadecahydro-3,15a:8a,11-diepoxybenzo[4',5']cyclohepta[1',2':4,5]indeno[2,1-b]oxepin-15-ol |
| Molecular Formula | C30H46O5 |
| Molecular Weight | 486.69 |
| SMILES | C[C@@H]1C[C@H]2O[C@]3(O[C@@H]2C(C)(C)O)[C@H]1[C@@]1(C)CCC2=C(CC[C@H]4C(C)(C)[C@@H]5CC[C@@]4(C2)O5)[C@]1(C)[C@H]3O |
| InChI Key | QSMBCFYTBUXTGE-OZOOACSHSA-N |
| Synonym | Acerinol;3,15a:8a,11-Diepoxybenzo[4',5']cyclohept[1',2':4,5]indeno[2,1-b]oxepin-2-methanol, 2,3,4,5,5a,5b,6,7,8,9,10,11,12,12a,13,14,14b,15-octadecahydro-15-hydroxy-α,α,5,5b,12,12,14b-heptamethyl-, (2S,3R,5R,5aR,5bR,8aS,11S,12aS,14bR,15R,15aS)- |
| CAS No. | 19902-53-5 |
Synthetic Route by SureRoute
2. ACBAIB952 Molecular Building Block Synthetic Route
(2S,3R,4R,5R,6S)-2-(((2R,3R,4S,5R,6R)-3,5-Dihydroxy-2-(((4S,5'R,6aR,6bS,8aS,8bS,9S,10R,11aS,12aS,12bR)-8b-hydroxy-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol
(2R,3S,4S,5S,6R)-2-(((2S,3S,4R,5R,6S)-4,5-dihydroxy-2-(((4R,5'S,6aS,6bR,8aS,8bS,9R,10S,11aR,12aS,12bS)-12a-hydroxy-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol
(2S,3R,4R,5R,6S)-2-(((2R,3R,4S,5S,6R)-4-Hydroxy-2-(((4S,5'R,6aR,6bS,8aR,8bR,9S,10R,11aS,12aR,12bR)-12a-hydroxy-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl)oxy)-6-(hydroxymethyl)-5-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol