Account (1aR,2S,5R,5aR,6S,8aS,9R,10aR)-5,5a,6-Trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-11-one
- Catalog No. :
- ACOBUE029
- CAS No. :
- 30220-46-3
- Molecular Formula :
- C20H28O5
- Molecular Weight :
- 348.44
IUPAC Name:(1aR,2S,5R,5aR,6S,8aS,9R,10aR)-5,5a,6-trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-11-one
![(1aR,2S,5R,5aR,6S,8aS,9R,10aR)-5,5a,6-Trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-11-one structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/wkf8/30220-46-3.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260802%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260802T181126Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%2230220-46-3.png%22&x-id=GetObject&X-Amz-Signature=6e636f35694af6ec44892020e0e5b91cfa691b8f474c055fb7793c3f4db8d55c)
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Product Information
| Product Name | (1aR,2S,5R,5aR,6S,8aS,9R,10aR)-5,5a,6-Trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-11-one |
|---|---|
| IUPAC Name | (1aR,2S,5R,5aR,6S,8aS,9R,10aR)-5,5a,6-trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-11-one |
| MDL No. | MFCD00056380 |
| Molecular Formula | C20H28O5 |
| Molecular Weight | 348.44 |
| SMILES | O=C1[C@]2([H])[C@@]3([H])[C@@](C3(C)C)([H])C[C@@H](C)[C@@](C=C(C)[C@@H]4O)1[C@]4(O)[C@H](O)C(CO)=C2 |
| InChI Key | VEBVPUXQAPLADL-POYOOMFHSA-N |
| Synonym | CHEBI:5922 | SCHEMBL17691258 | (1S,4S,5R,6R,9S,10R,12R,14R)-4,5,6-trihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-15-one | IC77UZI9G8 | UNII-IC77UZI9G8 | J-017834 | ingenol | INGENOL [MI] | (+)-Ingenol | |
| CAS No. | 30220-46-3 |
| PubChem CID | 442042 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H302-H314
- Precautionary Statement(s)
- P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501
Synthetic Route by SureRoute
2. ACOBUE029 Molecular Building Block Synthetic Route
![(1aR,2R,5R,5aR,6S,8aS,9R,10aR)-5,5a,6-Trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-11-one structure diagram](/images/productimg/no-pic.svg)
(1aR,2R,5R,5aR,6S,8aS,9R,10aR)-5,5a,6-Trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-11-one
(1aR,2S,5R,5aS,6S,8aS,9R,10aR)-5,5a,6-trihydroxy-1,1,4,7,9-pentamethyl-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-11-one
(5,5a,6-trihydroxy-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-4-yl)methyl palmitate