Account (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
- Catalog No. :
- ACEPIE287
- CAS No. :
- 74174-44-0
- Molecular Formula :
- C29H50O6
- Molecular Weight :
- 494.71
IUPAC Name:(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
![(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 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,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 |
|---|---|
| IUPAC Name | (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 |
| MDL No. | MFCD00238609 |
| Molecular Formula | C29H50O6 |
| Molecular Weight | 494.71 |
| SMILES | CC[C@@H](C(C)C)C(O)C(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 | HJIKODJJEORHMZ-OZXIRSPGSA-N |
| Synonym | Brassinolide-ethyl | CS-0168966 | P301F2094N | Q27286050 | (1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one | DTXSID901315552 | HY-N |
| CAS No. | 74174-44-0 |
| PubChem CID | 11038340 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H413
- Precautionary Statement(s)
- P264-P270-P273-P301+P312-P330-P501
Synthetic Route by SureRoute
2. ACEPIE287 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,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
8-hydroxy-4-oxatricyclo[5.2.1.02,6]decane-3-one