Account (1S,2S,3aR,4R,5S,7R,9S,10S,11S,13R,13aR)-10-(benzoyloxy)-4-hydroxy-2,5,8,8-tetramethyl-12-methylene-6-oxotetradecahydro-3aH-4,7-epoxycyclopenta[12]annulene-1,3a,9,11,13-pentayl pentaacetate
- Catalog No. :
- ACGXEF787
- CAS No. :
- 57701-86-7
- Molecular Formula :
- C37H46O15
- Molecular Weight :
- 730.76
IUPAC Name:(1S,2S,3aR,4R,5S,7R,9S,10S,11S,13R,13aR)-10-(benzoyloxy)-4-hydroxy-2,5,8,8-tetramethyl-12-methylene-6-oxotetradecahydro-3aH-4,7-epoxycyclopenta[12]annulene-1,3a,9,11,13-pentayl pentaacetate
![(1S,2S,3aR,4R,5S,7R,9S,10S,11S,13R,13aR)-10-(benzoyloxy)-4-hydroxy-2,5,8,8-tetramethyl-12-methylene-6-oxotetradecahydro-3aH-4,7-epoxycyclopenta[12]annulene-1,3a,9,11,13-pentayl pentaacetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1S,2S,3aR,4R,5S,7R,9S,10S,11S,13R,13aR)-10-(benzoyloxy)-4-hydroxy-2,5,8,8-tetramethyl-12-methylene-6-oxotetradecahydro-3aH-4,7-epoxycyclopenta[12]annulene-1,3a,9,11,13-pentayl pentaacetate |
|---|---|
| IUPAC Name | (1S,2S,3aR,4R,5S,7R,9S,10S,11S,13R,13aR)-10-(benzoyloxy)-4-hydroxy-2,5,8,8-tetramethyl-12-methylene-6-oxotetradecahydro-3aH-4,7-epoxycyclopenta[12]annulene-1,3a,9,11,13-pentayl pentaacetate |
| Molecular Formula | C37H46O15 |
| Molecular Weight | 730.76 |
| SMILES | C=C1[C@H](OC(C)=O)[C@@H](OC(=O)C2=CC=CC=C2)[C@@H](OC(C)=O)C(C)(C)[C@H]2O[C@](O)([C@@H](C)C2=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O |
| InChI Key | VKHCUWUNVKZFBM-ADCMAJNMSA-N |
| Synonym | Kansuinin A | 1,3a,9,11,13-Pentakis(acetyloxy)-4-hydroxy-2,5,8,8-tetramethyl-12-methylidene-6-oxotetradecahydro-1H-4,7-epoxycyclopenta[12]annulen-10-yl benzoate | DTXSID30973298 | [(1R,2R,4S,5S,6R,7R,9S,10S,11S,13R,15S)-2,5,7,9,11-Pentaacetyloxy-1-hydroxy |
| CAS No. | 57701-86-7 |
| PubChem CID | 171606 |
Synthetic Route by SureRoute
2. ACGXEF787 Molecular Building Block Synthetic Route
(1S,3aR,4R,5R,5aR,7S,9S,9aR,10R,11S,11aR)-9a-((benzoyloxy)methyl)-11a-hydroxy-1,3a-dimethyl-6-methylene-13-oxotetradecahydro-1,4-ethanobenzo[5,6]cycloocta[1,2-c]furan-5,7,9,10,11-pentayl pentaacetate
(1aS,4R,5S,7R,7aS,8R,9R,10S,10aS,12S,12aS)-8,10a-diacetoxy-4,9,10-trihydroxy-2,2,9,12-tetramethyl-6-methylene-3,11-dioxotetradecahydro-2H-cyclopenta[5,6]cyclododeca[1,2-b]oxirene-5,7-diyl dibenzoate
(1S,3aR,4R,5R,5aR,7S,9S,9aR,10R,11S,11aR,12S)-9a-((benzoyloxy)methyl)-7,11a-dihydroxy-12-(hydroxymethyl)-1,3a-dimethyl-6-methylene-13-oxotetradecahydro-4,1-ethanobenzo[5,6]cycloocta[1,2-c]furan-5,9,10,11-tetrayl tetraacetate