Account (1S,4aR,5R,7S,7aS)-7-hydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-5-yl 4-hydroxy-3-methoxybenzoate
- Catalog No. :
- ACBOZG220
- CAS No. :
- 124168-04-3
- Molecular Formula :
- C23H30O12
- Molecular Weight :
- 498.48
IUPAC Name:(1S,4aR,5R,7S,7aS)-7-hydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-5-yl 4-hydroxy-3-methoxybenzoate
![(1S,4aR,5R,7S,7aS)-7-hydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-5-yl 4-hydroxy-3-methoxybenzoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1S,4aR,5R,7S,7aS)-7-hydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-5-yl 4-hydroxy-3-methoxybenzoate |
|---|---|
| IUPAC Name | (1S,4aR,5R,7S,7aS)-7-hydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-5-yl 4-hydroxy-3-methoxybenzoate |
| MDL No. | MFCD20274710 |
| Molecular Formula | C23H30O12 |
| Molecular Weight | 498.48 |
| SMILES | COC1=C(O)C=CC(C(=O)O[C@@H]2C[C@](C)(O)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@H]32)=C1 |
| InChI Key | PJAISAAYEQAVGA-YYFWYDPZSA-N |
| Synonym | 6-O-Vanilloylajugol;b-D-Glucopyranoside, 1,4a,5,6,7,7a-hexahydro-7-hydroxy-5-[(4-hydroxy-3-methoxybenzoyl)oxy ]-7-methylcyclopenta[c]pyran-1-yl, (1S,4aR,5R,7S,7aS)-;β-D-Glucopyranoside, (1S,4aR,5R,7S,7aS)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-5-[(4-hydroxy-3-methoxybenzoyl)oxy]-7-methylcyclopenta[c]pyran-1-yl |
| CAS No. | 124168-04-3 |
Synthetic Route by SureRoute
2. ACBOZG220 Molecular Building Block Synthetic Route
(1S,4aR,5R,7S,7aS)-7-hydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-5-yl 4-hydroxy-3,5-dimethoxybenzoate
(1aS,1bS,2S,5aR,6S,6aS)-1a-(Hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-6-yl 4-hydroxy-3-methoxybenzoate
(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-6-yl 3,4-dimethoxybenzoate