(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-3,5-Dihydroxy-2-(((3S,4aR,6aR,6bS,8S,8aS,12aR,12bS,14aR,14bS)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-2,3,4,4a,5,6,6a,6b,7,8,10,11,12,12a,14a,14b-hexadecahydro-1H,9H-12b,8a-(epoxymethano)picen-3-yl)oxy)-6-methyltetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Catalog No. :: ACOAHG897
CAS No. :: 64340-44-9
Molecular Formula :: C42H68O12
Molecular Weight :: 764.99

IUPAC Name:(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-3,5-dihydroxy-2-(((3S,4aR,6aR,6bS,8S,8aS,12aR,12bS,14aR,14bS)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-2,3,4,4a,5,6,6a,6b,7,8,10,11,12,12a,14a,14b-hexadecahydro-1H,9H-12b,8a-(epoxymethano)picen-3-yl)oxy)-6-methyltetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-3,5-Dihydroxy-2-(((3S,4aR,6aR,6bS,8S,8aS,12aR,12bS,14aR,14bS)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-2,3,4,4a,5,6,6a,6b,7,8,10,11,12,12a,14a,14b-hexadecahydro-1H,9H-12b,8a-(epoxymethano)picen-3-yl)oxy)-6-methyltetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol structure diagram

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Product Information

Product Name	(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-3,5-Dihydroxy-2-(((3S,4aR,6aR,6bS,8S,8aS,12aR,12bS,14aR,14bS)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-2,3,4,4a,5,6,6a,6b,7,8,10,11,12,12a,14a,14b-hexadecahydro-1H,9H-12b,8a-(epoxymethano)picen-3-yl)oxy)-6-methyltetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
IUPAC Name	(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-3,5-dihydroxy-2-(((3S,4aR,6aR,6bS,8S,8aS,12aR,12bS,14aR,14bS)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-2,3,4,4a,5,6,6a,6b,7,8,10,11,12,12a,14a,14b-hexadecahydro-1H,9H-12b,8a-(epoxymethano)picen-3-yl)oxy)-6-methyltetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Molecular Formula	C42H68O12
Molecular Weight	764.99
SMILES	C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4C=C[C@]56OC[C@@]7(CCC(C)(C)C[C@H]75)[C@@H](O)C[C@@]6(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
InChI Key	KQGDHYQRJRGMDG-CYMACDCKSA-N
Synonym	13,28-Epoxy-16β-hydroxyolean-11-en-3β-yl 6-deoxy-3-O-(β-D-glucopyranosyl)-β-D-galactopyranoside;Saikosaponin E
CAS No.	64340-44-9
PubChem CID	21637632

Safety Data

Pictogram
Signal Word: Warning
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

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1. ACOAHG897 Molecular Building Block Synthetic Route

2. ACOAHG897 Molecular Building Block Synthetic Route

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Synthetic Route by SureRoute

2-((8-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,10,11,12,12a,14a,14b-hexadecahydro-1H,9H-12b,8a-(epoxymethano)picen-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol

(2R,3R,4S,5R,6R)-2-(((3S,4R,4aR,6aR,6bS,8S,8aS,12aR,12bS,14aR,14bS)-8-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,10,11,12,12a,14a,14b-hexadecahydro-1H,9H-12b,8a-(epoxymethano)picen-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol

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