Account (2aR,6aR,7aS,9aR,9bR,10R,12R,13S,14aS,15R,15aS,15bR)-15-hydroxy-13-(2-hydroxypropan-2-yl)-3,3,9a,10,15a-pentamethylhexadecahydro-7H-12,14a-epoxycyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]oxepin-4(2H)-one
- Catalog No. :
- ACMZBE114
- CAS No. :
- 31222-32-9
- Molecular Formula :
- C30H46O5
- Molecular Weight :
- 486.69
IUPAC Name:(2aR,6aR,7aS,9aR,9bR,10R,12R,13S,14aS,15R,15aS,15bR)-15-hydroxy-13-(2-hydroxypropan-2-yl)-3,3,9a,10,15a-pentamethylhexadecahydro-7H-12,14a-epoxycyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]oxepin-4(2H)-one
![(2aR,6aR,7aS,9aR,9bR,10R,12R,13S,14aS,15R,15aS,15bR)-15-hydroxy-13-(2-hydroxypropan-2-yl)-3,3,9a,10,15a-pentamethylhexadecahydro-7H-12,14a-epoxycyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]oxepin-4(2H)-one structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (2aR,6aR,7aS,9aR,9bR,10R,12R,13S,14aS,15R,15aS,15bR)-15-hydroxy-13-(2-hydroxypropan-2-yl)-3,3,9a,10,15a-pentamethylhexadecahydro-7H-12,14a-epoxycyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]oxepin-4(2H)-one |
|---|---|
| IUPAC Name | (2aR,6aR,7aS,9aR,9bR,10R,12R,13S,14aS,15R,15aS,15bR)-15-hydroxy-13-(2-hydroxypropan-2-yl)-3,3,9a,10,15a-pentamethylhexadecahydro-7H-12,14a-epoxycyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]oxepin-4(2H)-one |
| MDL No. | MFCD09752782 |
| 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](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13 |
| InChI Key | JFTOWADKDXNJHZ-OTEZEVKPSA-N |
| Synonym | CIMIGENONE;9,19-Cyclolanostan-3-one, 16,23:16,24-diepoxy-15,25-dihydroxy-, (15α,16α,23R,24S)- |
| CAS No. | 31222-32-9 |
Synthetic Route by SureRoute
2. ACMZBE114 Molecular Building Block Synthetic Route
(2aR,4S,6aR,7aS,9aR,9bR,10R,12R,13S,14aS,15R,15aS,15bR)-13-(2-hydroxypropan-2-yl)-3,3,9a,10,15a-pentamethyloctadecahydro-7H-12,14a-epoxycyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]oxepine-4,15-diol
Cimigenoside
(2S,3R,4S,5S)-2-(((2aR,4S,6aR,7aS,9aR,9bR,10R,12R,13S,14aS,15R,15aS,15bR)-15-hydroxy-13-(2-hydroxypropan-2-yl)-3,3,9a,10,15a-pentamethyloctadecahydro-7H-12,14a-epoxycyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]oxepin-4-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol