(2R,3R,4S,5S,6R)-2-(((3S,5S,9R,10S,13R,14R,17R)-17-((2R,5S,E)-5-Ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Catalog No. :: ACQARS181
CAS No. :: 1745-36-4
Molecular Formula :: C35H58O6
Molecular Weight :: 574.84

IUPAC Name:(2R,3R,4S,5S,6R)-2-(((3S,5S,9R,10S,13R,14R,17R)-17-((2R,5S,E)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

(2R,3R,4S,5S,6R)-2-(((3S,5S,9R,10S,13R,14R,17R)-17-((2R,5S,E)-5-Ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol structure diagram

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Product Information

Product Name	(2R,3R,4S,5S,6R)-2-(((3S,5S,9R,10S,13R,14R,17R)-17-((2R,5S,E)-5-Ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
IUPAC Name	(2R,3R,4S,5S,6R)-2-(((3S,5S,9R,10S,13R,14R,17R)-17-((2R,5S,E)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
MDL No.	MFCD20260903
Molecular Formula	C35H58O6
Molecular Weight	574.84
SMILES	CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
InChI Key	ITYGLICZKGWOPA-FDZHQVDOSA-N
Synonym	alpha-Spinasterol glucoside;alpha-Spinasteryl beta-D-glucoside;β-D-Glucopyranoside, (3β,5α,22E)-stigmasta-7,22-dien-3-yl;α-spinasteryl-3-O-β-D-glucoside;α-Spinasterol glucoside;a-Spinasterol glucoside
CAS No.	1745-36-4

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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ACQARS1811745-36-4

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ACQARS1811745-36-4

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(2R,3R,4S,5S,6R)-2-(((3S,5S,9R,10S,13R,14R,17R)-17-((2R,5S,E)-5-Ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

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Synthetic Route by SureRoute

1. ACQARS181 Molecular Building Block Synthetic Route

2. ACQARS181 Molecular Building Block Synthetic Route

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(2R,3R,4S,5S,6R)-2-(((3S,5S,9R,10S,13R,14R,17R)-17-((2R,5S,E)-5-Ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

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Inundoside E

(2R,3R,4S,5S,6R)-2-(((3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-Ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Stigmasterol glucoside

Clerosterol glucoside

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