Account Dehydrosoyasaponin I methyl ester
- Catalog No. :
- ACFZQO060
- CAS No. :
- 117210-13-6
- Molecular Formula :
- C49H78O18
- Molecular Weight :
- 955.15
IUPAC Name:methyl (2S,3S,4S,5R,6R)-5-(((2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(((3S,4S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)tetrahydro-2H-pyran-2-carboxylate
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Product Information
| Product Name | Dehydrosoyasaponin I methyl ester |
|---|---|
| IUPAC Name | methyl (2S,3S,4S,5R,6R)-5-(((2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(((3S,4S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)tetrahydro-2H-pyran-2-carboxylate |
| Molecular Formula | C49H78O18 |
| Molecular Weight | 955.15 |
| SMILES | C[C@@]12[C@@]([H])([C@]3(C)[C@@]([H])(CC2)[C@]([C@@H](O[C@H]4[C@H](O[C@H]5[C@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[C@@H](O)[C@@H](O)[C@@H](CO)O5)[C@@H](O)[C@H](O)[C@@H](C(OC)=O)O4)CC3)(CO)C)CC=C7[C@@]1(C)CC[C@]8(C)[C@]7(CC(CC8=O)(C)C)[H] |
| InChI Key | UAQSFFPZBWPNOO-CXWULDEQSA-N |
| Synonym | Soyasaponin Be Methyl ester;product/153092;β-D-Glucopyranosiduronic acid, (3β,4β)-23-hydroxy-22-oxoolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-, methyl ester;Soyasaponin Be Methyl ester USP/EP/BP;Dehydrosoyasaponin I methyl ester |
| CAS No. | 117210-13-6 |
Synthetic Route by SureRoute
2. ACFZQO060 Molecular Building Block Synthetic Route
Dehydrosoyasaponin I
(2S,3S,4S,5R,6R)-6-(((3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-3,4-dihydroxy-5-(((2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-(((2R,3R,4S,5S,6S)-4,5-dihydroxy-6-(methoxycarbonyl)-3-(((2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid