Account (E)-6-(3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
- Catalog No. :
- ACFJCC642
- CAS No. :
- 89647-62-1
- Molecular Formula :
- C32H46O8
- Molecular Weight :
- 558.71
IUPAC Name:(E)-6-(3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
![(E)-6-(3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (E)-6-(3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate |
|---|---|
| IUPAC Name | (E)-6-(3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate |
| MDL No. | MFCD30533747 |
| Molecular Formula | C32H46O8 |
| Molecular Weight | 558.71 |
| SMILES | CC(=O)OC(C)(C)/C=C/C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(=O)C(O)C4(C)C)C3(C)C(=O)CC12C |
| InChI Key | WTBZNVRBNJWSPF-OUKQBFOZSA-N |
| Synonym | 3-epi-isocucurbitacin B;19-Norlanosta-5,23-diene-2,11,22-trione, 25-(acetyloxy)-3,16,20-trihydroxy-9-methyl-, (3β,9β,10α,16α,23E)-;(1R,4R,9beta,16alpha,23E)-1,16,20-trihydroxy-9,10,14-trimethyl-2,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl acetate |
| CAS No. | 89647-62-1 |
| PubChem CID | 5477826 |
Synthetic Route by SureRoute
2. ACFJCC642 Molecular Building Block Synthetic Route
(R,E)-6-((3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
6-(3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
(R,E)-6-hydroxy-2-methyl-5-oxo-6-((2S,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)hept-3-en-2-yl acetate
![(R,E)-6-((2S,8S,9R,10R,13R,14S,16R,17R)-2,16-Dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/vlc8/6199-67-3.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260802%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260802T121427Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%226199-67-3.png%22&x-id=GetObject&X-Amz-Signature=cbf5e8de172b0673eb1da1ccd42e0236c011994f7e8bcf78d612515c9356f9c3)