Account (4aR,5R,6R,7S,11R,12aR)-7-(((2R,3S)-3-hydroxy-2-methylbutanoyl)oxy)-9,12a,13,13-tetramethyl-4-methylene-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-3,5,11-triyl triacetate
- Catalog No. :
- ACOBBS822
- CAS No. :
- 139713-81-8
- Molecular Formula :
- C31H46O9
- Molecular Weight :
- 562.70
IUPAC Name:(4aR,5R,6R,7S,11R,12aR)-7-(((2R,3S)-3-hydroxy-2-methylbutanoyl)oxy)-9,12a,13,13-tetramethyl-4-methylene-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-3,5,11-triyl triacetate
![(4aR,5R,6R,7S,11R,12aR)-7-(((2R,3S)-3-hydroxy-2-methylbutanoyl)oxy)-9,12a,13,13-tetramethyl-4-methylene-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-3,5,11-triyl triacetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (4aR,5R,6R,7S,11R,12aR)-7-(((2R,3S)-3-hydroxy-2-methylbutanoyl)oxy)-9,12a,13,13-tetramethyl-4-methylene-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-3,5,11-triyl triacetate |
|---|---|
| IUPAC Name | (4aR,5R,6R,7S,11R,12aR)-7-(((2R,3S)-3-hydroxy-2-methylbutanoyl)oxy)-9,12a,13,13-tetramethyl-4-methylene-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-3,5,11-triyl triacetate |
| MDL No. | MFCD32644909 |
| Molecular Formula | C31H46O9 |
| Molecular Weight | 562.70 |
| SMILES | C=C1C(OC(C)=O)CC[C@]2(C)C[C@@H](OC(C)=O)C3=C(C)C[C@H](OC(=O)[C@H](C)[C@H](C)O)[C@H]([C@H](OC(C)=O)[C@@H]12)C3(C)C |
| InChI Key | FMPIEMVVEJGMCY-HROBNECESA-N |
| Synonym | yunnanxane;(2R,3S)-3-Hydroxy-2-methylbutanoic acid (3S,4aS,5S,6S,7S,11S,12aS)-3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-yl ester;Butanoic acid, 3-hydroxy-2-methyl-, (3S,4aS,5S,6S,7S,11S,12aS)-3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-yl ester, (2R,3S)-;(1β,2β,3β,8α,10α,14β)-2,5,10-Triacetoxytaxa-4(20),11-dien-14-yl(2R,3S)-3-hydroxy-2-methylbutanoate |
| CAS No. | 139713-81-8 |
Synthetic Route by SureRoute
2. ACOBBS822 Molecular Building Block Synthetic Route
(3S,4aS,5S,6S,7S,11S,12aS)-11-hydroxy-7-(((2R,3S)-3-hydroxy-2-methylbutanoyl)oxy)-9,12a,13,13-tetramethyl-4-methylene-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-3,5-diyl diacetate
(1S,3S,4aR,5R,6R,8S,11R,12R,12aS)-3-hydroxy-9,12a,13,13-tetramethyl-4-methylene-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-1,5,8,11,12-pentayl pentaacetate
(1S,3S,4aR,6R,8S,11R,12R,12aS)-3-hydroxy-9,12a,13,13-tetramethyl-4-methylene-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-1,8,11,12-tetrayl tetraacetate