Account 43H-18,22-Epoxy-6,9-ethano-29,32-methano-42a,35,38-[1]propanyl[3]ylidene-2H,11H,24H,29H-dibenzo[z,e1]dipyrano[3,2-t:2′,3′-i1][1,3,6,12,19,22,34]heptaoxacyclohexatriacontin, olean-12-en-28-oic acid deriv.
- Catalog No. :
- ACEYSH902
- CAS No. :
- 115810-13-4
- Molecular Formula :
- C64H100O31
- Molecular Weight :
- 1365.47
IUPAC Name:(3S,4S,4aR,6S,7R,8S,9S,18R,19S,20S,21R,22S,23aR,24S,25S,26R,27aR,29R,30S,31aR,32R,35R,35aR,38aS,42aR,44aS,47S,48R,50S)-3,4,7,13,19,20,21,24,25,30,45-undecahydroxy-26,48-bis(hydroxymethyl)-13,31a,35,40,40,47,48,50-octamethyl-8-(((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3,4,4a,6,7,8,9,13,14,17,18,19,20,21,22,23a,25,26,27a,30,31,31a,32,33,34,35,35a,36,38a,39,40,41,42,44a-tetratriacontahydro-2H,11H,24H,29H,43H-35,38,42a-(epipropane[1,1,3]triyl)-18,22-epoxy-6,9-(epoxymethano)-29,32-methanodibenzo[c1,h1]dipyrano[2,3-b:3',2'-w][1,4,9,15,22,25]hexaoxacyclohexatriacontine-11,15,43(12H)-trione
![43H-18,22-Epoxy-6,9-ethano-29,32-methano-42a,35,38-[1]propanyl[3]ylidene-2H,11H,24H,29H-dibenzo[z,e1]dipyrano[3,2-t:2′,3′-i1][1,3,6,12,19,22,34]heptaoxacyclohexatriacontin, olean-12-en-28-oic acid deriv. structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 43H-18,22-Epoxy-6,9-ethano-29,32-methano-42a,35,38-[1]propanyl[3]ylidene-2H,11H,24H,29H-dibenzo[z,e1]dipyrano[3,2-t:2′,3′-i1][1,3,6,12,19,22,34]heptaoxacyclohexatriacontin, olean-12-en-28-oic acid deriv. |
|---|---|
| IUPAC Name | (3S,4S,4aR,6S,7R,8S,9S,18R,19S,20S,21R,22S,23aR,24S,25S,26R,27aR,29R,30S,31aR,32R,35R,35aR,38aS,42aR,44aS,47S,48R,50S)-3,4,7,13,19,20,21,24,25,30,45-undecahydroxy-26,48-bis(hydroxymethyl)-13,31a,35,40,40,47,48,50-octamethyl-8-(((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3,4,4a,6,7,8,9,13,14,17,18,19,20,21,22,23a,25,26,27a,30,31,31a,32,33,34,35,35a,36,38a,39,40,41,42,44a-tetratriacontahydro-2H,11H,24H,29H,43H-35,38,42a-(epipropane[1,1,3]triyl)-18,22-epoxy-6,9-(epoxymethano)-29,32-methanodibenzo[c1,h1]dipyrano[2,3-b:3',2'-w][1,4,9,15,22,25]hexaoxacyclohexatriacontine-11,15,43(12H)-trione |
| MDL No. | - |
| Molecular Formula | C64H100O31 |
| Molecular Weight | 1365.47 |
| SMILES | C[C@@H]1O[C@H]2O[C@H]3[C@@H](OC[C@H](O)[C@@H]3O)OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](COC(=O)CC(C)(O)CC(=O)O[C@@H]1[C@@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4O |
| InChI Key | MTICHQXHYUJVDV-INTJJSCYSA-N |
| Synonym | tubeimoside III;Tubeimoside C;TubeimosideⅢ;Olean-12-en-28-oic acid, 3-[[2-O-[6-O-[(3S)-4-carboxy-3-hydroxy-3-methyl-1-oxobutyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-2,16,23-trihydroxy-, 28-(O-β-D-xylopyranosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl) ester, intramol. 6''(3)→4''(28)-ester, (2β,3β,4α,16α)-;Tubeimoside III-RM;Tubeimoside III, 10 mM in DMSO |
| CAS No. | 115810-13-4 |
| PubChem CID | 5489425 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACEYSH902 Molecular Building Block Synthetic Route
Tubeimoside I
3-((5-((3,5-dihydroxy-4-((3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl 5-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylate
(2S,3R,4S,5S)-3-(((2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl (4aR,5R,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-10-(((2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylate