Account (3R,4aR,5S,6aS,7R,9R,11aS,11bS)-5-hydroxy-4,4-dimethyl-8-methylene-1,6-dioxododecahydro-1H-3,11b-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-7-yl acetate
- Catalog No. :
- ACBQTT648
- CAS No. :
- 96850-30-5
- Molecular Formula :
- C22H28O6
- Molecular Weight :
- 388.46
IUPAC Name:(3R,4aR,5S,6aS,7R,9R,11aS,11bS)-5-hydroxy-4,4-dimethyl-8-methylene-1,6-dioxododecahydro-1H-3,11b-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-7-yl acetate
![(3R,4aR,5S,6aS,7R,9R,11aS,11bS)-5-hydroxy-4,4-dimethyl-8-methylene-1,6-dioxododecahydro-1H-3,11b-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-7-yl acetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3R,4aR,5S,6aS,7R,9R,11aS,11bS)-5-hydroxy-4,4-dimethyl-8-methylene-1,6-dioxododecahydro-1H-3,11b-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-7-yl acetate |
|---|---|
| IUPAC Name | (3R,4aR,5S,6aS,7R,9R,11aS,11bS)-5-hydroxy-4,4-dimethyl-8-methylene-1,6-dioxododecahydro-1H-3,11b-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-7-yl acetate |
| Molecular Formula | C22H28O6 |
| Molecular Weight | 388.46 |
| SMILES | C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)[C@@H](O)[C@@H]2C(C)(C)[C@H]4CC(=O)[C@@]32CO4)[C@@H]1OC(C)=O |
| InChI Key | DCULYKVTBAXAER-XETVFITMSA-N |
| Synonym | (3alpha,6beta,15beta)-15-(Acetyloxy)-3,20-epoxy-6-hydroxykaur-16-ene-1,7-dione;PubChem ID: 20056131;Kaur-16-ene-1,7-dione,15-(acetyloxy)-3,20-epoxy-6-hydroxy-, (3a,6b,15b)-;Kaur-16-ene-1,7-dione, 15-(acetyloxy)-3,20-epoxy-6-hydroxy-, (3α,6β,15β)-;MAOECRYSTAL A USP/EP/BP;Maoecrystal |
| CAS No. | 96850-30-5 |
| PubChem CID | 20056131 |
Synthetic Route by SureRoute
2. ACBQTT648 Molecular Building Block Synthetic Route
7-acetoxy-11-hydroxy-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
(3aS,3a1R,5aS,5a1S,6R,8S,9aS,11aR)-6-hydroxy-1,1-dimethyl-7-methylene-5,11-dioxododecahydro-3a1H,5H-4,10-dioxa-5a,8-methanocyclohepta[cd]phenalene-3a1-carbaldehyde
(1S,3aR,5R,7S,7aS)-1-((R)-1-Acetoxyethyl)-7-isopropyl-4-methylene-2-oxooctahydro-1H-inden-5-yl (E)-3-methylpent-2-enoate