Account (3S,4aR,5aS,6S,6bR,9R,9aR,11bR)-9-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-9a,11b-dimethyl-1,2,3,4,5a,6,6b,7,8,9,9a,10,11,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxirene-3,6-diol
- Catalog No. :
- ACQLXU052
- CAS No. :
- 16250-61-6
- Molecular Formula :
- C28H44O3
- Molecular Weight :
- 428.66
IUPAC Name:(3S,4aR,5aS,6S,6bR,9R,9aR,11bR)-9-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-9a,11b-dimethyl-1,2,3,4,5a,6,6b,7,8,9,9a,10,11,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxirene-3,6-diol
![(3S,4aR,5aS,6S,6bR,9R,9aR,11bR)-9-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-9a,11b-dimethyl-1,2,3,4,5a,6,6b,7,8,9,9a,10,11,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxirene-3,6-diol structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3S,4aR,5aS,6S,6bR,9R,9aR,11bR)-9-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-9a,11b-dimethyl-1,2,3,4,5a,6,6b,7,8,9,9a,10,11,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxirene-3,6-diol |
|---|---|
| IUPAC Name | (3S,4aR,5aS,6S,6bR,9R,9aR,11bR)-9-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-9a,11b-dimethyl-1,2,3,4,5a,6,6b,7,8,9,9a,10,11,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxirene-3,6-diol |
| Molecular Formula | C28H44O3 |
| Molecular Weight | 428.66 |
| SMILES | CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@H]2[C@H]3O |
| InChI Key | PCIZFQVDNDHRPP-WOIVZMLFSA-N |
| Synonym | (22E,24R)-ergosta-5alpha,6alpha-epoxide-8,22-diene-3beta,7alpha-diol;5α,6α-Epoxyergosta-8,22-diene-3β,7α-diol |
| CAS No. | 16250-61-6 |
Synthetic Route by SureRoute
2. ACQLXU052 Molecular Building Block Synthetic Route
(3S,4aR,5aS,6S,9R,9aR,11aS,11bR)-9-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-6-methoxy-9a,11b-dimethyl-1,2,3,4,5a,6,7,8,9,9a,10,11,11a,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol
(3S,4aR,5aS,6bR,9R,9aR,11aS,11bR)-9-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-9a,11b-dimethyl-1,2,3,4,5a,6b,7,8,9,9a,10,11,11a,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol
(1'S,2R,3'S,4a'R,5'S,6'S,8'S,11'R,12'R,12a'S)-1',6',12'-trihydroxy-9',12a',13',13'-tetramethyl-2',3',4a',5',6',7',8',11',12',12a'-decahydro-1'H-spiro[oxirane-2,4'-[6,10]methanobenzo[10]annulene]-3',5',8',11'-tetrayl tetraacetate