Account Lycojaponicuminol C
- Catalog No. :
- ACCODA975
- CAS No. :
- 1651839-34-7
- Molecular Formula :
- C29H48O4
- Molecular Weight :
- 460.70
IUPAC Name:(1R,5aS,7S,9aS)-7-hydroxy-1-(2-((1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)ethyl)-6,6,9a-trimethyloctahydrobenzo[c]oxepin-3(1H)-one
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Product Information
| Product Name | Lycojaponicuminol C |
|---|---|
| IUPAC Name | (1R,5aS,7S,9aS)-7-hydroxy-1-(2-((1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)ethyl)-6,6,9a-trimethyloctahydrobenzo[c]oxepin-3(1H)-one |
| MDL No. | MFCD09837837 |
| Molecular Formula | C29H48O4 |
| Molecular Weight | 460.70 |
| SMILES | C[C@@]12[C@](CCC([C@@H]2CC[C@@H]3[C@@]4([C@](CCC(O3)=O)([H])C(C)([C@H](CC4)O)C)C)=C)([H])C(C)([C@H](CC1)O)C |
| InChI Key | GDRHALBYFBDMDN-JSFVAYFGSA-N |
| Synonym | Lycojaponicuminol C;2-Benzoxepin-3(1H)-one, 1-[2-[(1S,4aR,6S,8aR)-decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethyl]octahydro-7-hydroxy-6,6,9a-trimethyl-, (1R,5aS,7S,9aS)- |
| CAS No. | 1651839-34-7 |
Synthetic Route by SureRoute
2. ACCODA975 Molecular Building Block Synthetic Route
Cynanester A
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-(palmitoyloxy)-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid
methyl (1R,3aS,5aS,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-acetoxy-5a-(hydroxymethyl)-5b,8,8,11a-tetramethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylate