CAS RN 17406-45-0
CAS RN 17406-45-0
IUPAC Name:
(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]oxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms:
tomatin lycopersicin tomatine tomatidine, glycoside glycoside tomatidine A''-tomatidine α-tomatine
Molecular Weight (g/mol):
1034.2
Molecular Formula:
C50H83NO21
InChi Key:
REJLGAUYTKNVJM-SGXCCWNXSA-N
SMILES:
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O[C@@]11CC[C@H](C)CN1
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Tomatine from Tomato 80.0+%, TCI America™
CAS: 17406-45-0 Molecular Formula: C50H83NO21 Molecular Weight (g/mol): 1034.2 MDL Number: MFCD00016888 InChI Key: REJLGAUYTKNVJM-MERLFABPSA-N Synonym: tomatine,22r,25r-5alpha-spirosolane-3beta-yl 4-o-2-o-beta-d-glucopyranosyl-3-o-beta-d-xylopyranosyl-beta-d-glucopyranosyl-beta-d-galactopyranoside PubChem CID: 133612499 SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)NC1