Account (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
- Catalog No. :
- ACCZVO288
- CAS No. :
- 3779-59-7
- Molecular Formula :
- C30H48O5
- Molecular Weight :
- 488.71
IUPAC Name:(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
![(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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C30H48O5 |
| Molecular Weight | 488.71 |
| 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@@H](O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13 |
| InChI Key | CNBHUROFMYCHGI-IEUUZZHOSA-N |
| Synonym | CIMIGENOL;(23R,24S)-16β,23:16α,24-Diepoxy-9β,19-cyclo-5α-lanostane-3β,15α,25-triol;Cimicifugol;(3beta,15alpha,16alpha,23R,24S)-16,23:16,24-Diepoxy-9,19-cyclolanostane-3,15,25-triol;9,19-Cyclolanostane-3,15,25-triol, 16,23:16,24-diepoxy-, (3β,15α,16α,23R,24S)-;CIMIGENOL USP/EP/BP |
| CAS No. | 3779-59-7 |
Synthetic Route by SureRoute
2. ACCZVO288 Molecular Building Block Synthetic Route
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
(2S,3R,4S,5R)-2-(((2S,3R,4S,5R)-3,5-dihydroxy-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-4-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol