Eclalbasaponin I

cas: 158511-59-2 — see every product listed under this CAS number, including other names

Eclalbasaponin I (CAS 158511-59-2) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg, 25mg, 50mg. Offered by: GLPBio, Biosynth, Chemat.

brandGLPBio
catalog numberGC65123-10
cas158511-59-2
size10mg
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Available pack sizes

brand size price
GLPBio 10mg 2015.23 Pln
GLPBio 5mg 1383.36 Pln
Biosynth 25mg price on request
Biosynth 10mg price on request
Chemat 10mg 3408.36 Pln
Biosynth 50mg price on request
Chemat 5mg 1283.60 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate (CAS 158511-59-2) is a chemical compound with the molecular formula C42H68O14 and a molecular weight of 797.0 g/mol. IUPAC name: [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate. InChIKey: ZKMRZIYTCZLEAV-VVJIWJAZSA-N.

Identity
Molecular formulaC42H68O14
Molecular weight797.0 g/mol
IUPAC name[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
InChIKeyZKMRZIYTCZLEAV-VVJIWJAZSA-N
SMILESC[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: Eclalbasaponin I, ecliptasaponin C, Eclalbasaponin I (Standard), orb1218726, orb1297387, orb3140385
Isomers (same molecular formula)
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(1R,4S,5S,8R,9R,12S,13S,16S)-8-[(2S)-3-hydroxy-6-methyl-4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol C42H68O14
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid C42H68O14

Also listed as

Eclalbasaponin I/ 98.75% (existing batch purity) TargetMol CAS 158511-59-2
Eclalbasaponin I Biosynth CAS 158511-59-2
Eclalbasaponin I (Standard) MedChemExpress CAS 158511-59-2
Eclalbasaponin I, 98.81% MedChemExpress CAS 158511-59-2