Account (2S,3R,4R,5R,6S)-2-(((2R,3S,4R,5R,6R)-6-(((3S,4R,4AR,6aR,6bS,8S,8aS,12aS,14R,14aR,14bS)-8,14-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-4,5-dihydroxy-2-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol
- Catalog No. :
- ACGDEV702
- CAS No. :
- 1152168-63-2
- Molecular Formula :
- C48H80O19
- Molecular Weight :
- 961.15
IUPAC Name:11(α)-Hydroxynepasaikosaponin k
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Product Information
| Product Name | (2S,3R,4R,5R,6S)-2-(((2R,3S,4R,5R,6R)-6-(((3S,4R,4AR,6aR,6bS,8S,8aS,12aS,14R,14aR,14bS)-8,14-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-4,5-dihydroxy-2-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol |
|---|---|
| IUPAC Name | 11(α)-Hydroxynepasaikosaponin k |
| Molecular Formula | C48H80O19 |
| Molecular Weight | 961.15 |
| SMILES | O[C@H]1[C@H](O[C@@H]2[C@@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)O[C@@H](O[C@H]4CC[C@]5(C)[C@@]6([H])[C@H](O)C=C7[C@]8([H])CC(C)(C)CC[C@]8(CO)[C@@H](O)C[C@@]7(C)[C@]6(C)CC[C@@]5([H])[C@@]4(CO)C)[C@H](O)[C@H]2O)O[C@@H](C)[C@H](O)[C@H]1O |
| InChI Key | GVRUOQWVLBNLJD-FDGSHWPISA-N |
| Synonym | 11(α)-hydroxyNepasaikosaponin k;Olean-12-ene-11,16,23,28-tetrol, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-, (3β,4α,11α,16β)- |
| CAS No. | 1152168-63-2 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACGDEV702 Molecular Building Block Synthetic Route
(2S,3R,4R,5R,6S)-2-(((2R,3S,4R,5R,6S)-6-(((3R,4aS,6aR,6bS,8S,8aS,12aS,14R,14aR,14bS)-8,14-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)methyl)-4,5-dihydroxy-2-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol
2-((4,5-dihydroxy-6-((8-hydroxy-4,8a-bis(hydroxymethyl)-14-methoxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-2-(((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol
(2S,3R,4R,5R,6S)-2-(((2R,3S,4R,5R,6R)-4,5-Dihydroxy-6-(((3S,4aR,6aR,6bS,8S,8aS,12aS,14R,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-14-methoxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-2-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol