Account Anemarsaponin E
- Catalog No. :
- ACGPKP965
- CAS No. :
- 136565-73-6
- Molecular Formula :
- C46H78O19
- Molecular Weight :
- 935.11
IUPAC Name:(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(((2aR,4S,6aS,6bS,8aS,8bR,9S,11aS,12aS,12bR)-10-methoxy-6a,8a,9-trimethyl-10-((S)-3-methyl-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butyl)octadecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-4-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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Product Information
| Product Name | Anemarsaponin E |
|---|---|
| IUPAC Name | (2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(((2aR,4S,6aS,6bS,8aS,8bR,9S,11aS,12aS,12bR)-10-methoxy-6a,8a,9-trimethyl-10-((S)-3-methyl-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butyl)octadecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-4-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
| MDL No. | MFCD20527283 |
| Molecular Formula | C46H78O19 |
| Molecular Weight | 935.11 |
| SMILES | COC1(CC[C@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C |
| InChI Key | FDASUPFDHLZNSK-FCDYBKDVSA-N |
| Synonym | Anemarsaponin E;AneMarsaponin BI;(3beta,5beta,25S)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurostan-3-yl 2-O-beta-D-glucopyranosyl-beta-D-Galactopyranoside;Timosaponin B I;(3β,5β,25S)-26-(β-D-Glucopyranosyloxy)-22-methoxyfurostan-3-yl 2- O-β-D-glucopyranosyl-β-D-galactopyranoside;β-D-Galactopyranoside, (3β,5β,22α,25S)-26-(β-D-glucopyranosyloxy)-22-methoxyfurostan-3-yl 2-O-β-D-glucopyranosyl-;a-D-Galactopyranoside,(3a,5a,25S)-26-(a-Dglucopyranosyloxy)- 22-methoxyfurostan-3-yl 2-O-a-D-glucopyranosyl- |
| CAS No. | 136565-73-6 |
| PubChem CID | 71307556 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H301+H311+H331
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P361+P364-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACGPKP965 Molecular Building Block Synthetic Route
(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(((2aR,4S,5'S,6aS,6bS,8aS,8bR,9S,10R,11aS,12aS,12bR)-5',6a,8a,9-tetramethyldocosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Anemarrhenasaponin A2
(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(((2aR,4S,5'S,6aS,6bS,8aS,8bR,9S,10R,11aS,12aS,12bR)-5',6a,8a,9-tetramethyldocosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol