Account (2S,5S,5aR,7aS,7bR,9aR,11S,13aR,13bR,15bS)-11-Hydroxy-2,5a,7a,7b,10,10,13a-heptamethyl-1,5,5a,6,7,7a,7b,8,9,9a,10,11,12,13,13a,13b,14,15b-octadecahydro-2,5-methanochryseno[2,1-c]oxepin-3(2H)-one
- Catalog No. :
- ACWLHE716
- CAS No. :
- 84104-71-2
- Molecular Formula :
- C30H46O3
- Molecular Weight :
- 454.70
IUPAC Name:(2S,5S,5aR,7aS,7bR,9aR,11S,13aR,13bR,15bS)-11-hydroxy-2,5a,7a,7b,10,10,13a-heptamethyl-1,5,5a,6,7,7a,7b,8,9,9a,10,11,12,13,13a,13b,14,15b-octadecahydro-2,5-methanochryseno[2,1-c]oxepin-3(2H)-one
![(2S,5S,5aR,7aS,7bR,9aR,11S,13aR,13bR,15bS)-11-Hydroxy-2,5a,7a,7b,10,10,13a-heptamethyl-1,5,5a,6,7,7a,7b,8,9,9a,10,11,12,13,13a,13b,14,15b-octadecahydro-2,5-methanochryseno[2,1-c]oxepin-3(2H)-one structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (2S,5S,5aR,7aS,7bR,9aR,11S,13aR,13bR,15bS)-11-Hydroxy-2,5a,7a,7b,10,10,13a-heptamethyl-1,5,5a,6,7,7a,7b,8,9,9a,10,11,12,13,13a,13b,14,15b-octadecahydro-2,5-methanochryseno[2,1-c]oxepin-3(2H)-one |
|---|---|
| IUPAC Name | (2S,5S,5aR,7aS,7bR,9aR,11S,13aR,13bR,15bS)-11-hydroxy-2,5a,7a,7b,10,10,13a-heptamethyl-1,5,5a,6,7,7a,7b,8,9,9a,10,11,12,13,13a,13b,14,15b-octadecahydro-2,5-methanochryseno[2,1-c]oxepin-3(2H)-one |
| MDL No. | MFCD00272168 |
| Molecular Formula | C30H46O3 |
| Molecular Weight | 454.70 |
| SMILES | CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@@]6(C)C[C@H](OC6=O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 |
| InChI Key | HHQJBWYXBWOFJY-YLXTXNMFSA-N |
| Synonym | Wilforlide A | 84104-71-2 | regelide | Abruslactone A | 3-epiabruslactone A | JW7QMP68BC | Regelide;Abruslactone A | (2S,5S,5aR,7aS,7bR,9aR,11S,13aR,13bR,15bS)-11-hydroxy-2,5a,7a,7b,10,10,13a-heptamethyl-1,5,5a,6,7,7a,7b,8,9,9a,10,11,12,13,13a,13b,14,15b-octadecahydro- |
| CAS No. | 84104-71-2 |
| PubChem CID | 158477 |
Synthetic Route by SureRoute
2. ACWLHE716 Molecular Building Block Synthetic Route
(2S,5S,5aR,7aS,7bR,9aR,11S,13aR,13bR,15bS)-2,5a,7a,7b,10,10,13a-heptamethyl-3-oxo-1,2,3,5,5a,6,7,7a,7b,8,9,9a,10,11,12,13,13a,13b,14,15b-icosahydro-2,5-methanochryseno[2,1-c]oxepin-11-yl acetate
3,3,6a,8a,12a-pentamethyl-9-(4-methylpent-3-en-1-yl)-2a,3,5,6,6a,6b,7,8,8a,8b,9,11a,12,12a-tetradecahydro-2H-naphtho[2',1':4,5]indeno[2,1-b]furan-4,10-dione
(2R)-2-((3S,10S,13R,14R,16R,17R)-3-acetoxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylhept-5-enoic acid