Account (3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-10-((2S,3R,4R,5R)-3,4-Dihydroxy-5,6-dimethylheptan-2-yl)-5,6-dihydroxy-7a,9a-dimethylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one
- Catalog No. :
- ACKHIF182
- CAS No. :
- 78821-43-9
- Molecular Formula :
- C28H48O6
- Molecular Weight :
- 480.69
IUPAC Name:(3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-10-((2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl)-5,6-dihydroxy-7a,9a-dimethylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one
![(3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-10-((2S,3R,4R,5R)-3,4-Dihydroxy-5,6-dimethylheptan-2-yl)-5,6-dihydroxy-7a,9a-dimethylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-10-((2S,3R,4R,5R)-3,4-Dihydroxy-5,6-dimethylheptan-2-yl)-5,6-dihydroxy-7a,9a-dimethylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one |
|---|---|
| IUPAC Name | (3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-10-((2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl)-5,6-dihydroxy-7a,9a-dimethylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one |
| MDL No. | MFCD00133310 |
| Molecular Formula | C28H48O6 |
| Molecular Weight | 480.69 |
| SMILES | CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C |
| InChI Key | IXVMHGVQKLDRKH-QHBHMFGVSA-N |
| Synonym | MFCD00133310 | BP55 | Epibrassinolide, >=85% | 6H-BENZ(C)INDENO(5,4-E)OXEPIN-6-ONE, 1-(2,3-DIHYDROXY-1,4,5-TRIMETHYLHEXYL)HEXADECAHYDRO-8,9-DIHYDROXY-10A,12A-DIMETHYL-, (1R-(1.ALPHA.(1S*,2R*,3R*,4R*),3A.BETA.,3B.ALPHA.,6A.BETA.,8.BETA.,9.BETA.,10A.ALPHA., |
| CAS No. | 78821-43-9 |
| PubChem CID | 443055 |
Synthetic Route by SureRoute
2. ACKHIF182 Molecular Building Block Synthetic Route
(3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-10-((2S,3R,4R,5S)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-5,6-dihydroxy-7a,9a-dimethylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one
(3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-10-((2S,5S)-5-Ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-5,6-dihydroxy-7a,9a-dimethylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one
8-hydroxy-4-oxatricyclo[5.2.1.02,6]decane-3-one