Products 95298-47-8

CAS 95298-47-8 appears in our catalog under these names: Kaji–ichigoside F1, 2α,3α,19α-Trihydroxylurs-12-en-28-oic acid-28-O-β-D-glucopyranoside, 95%, 95%, Kaji-ichigoside F1 (Standard), Kaji-ichigoside F1, 99.9%. Offered by: GLPBio, Chemat, MedChemExpress. Available pack sizes: 1mg, 5mg, Get quote, 5 mg.

Kaji–ichigoside F1
GLPBio
  • size: 1mg, 5mg
  • Variants: 2
from 1065.09
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2α,3α,19α-Trihydroxylurs-12-en-28-oic acid-28-O-β-D-glucopyranoside, 95%, 95%
Chemat
  • size: 1mg
  • Variants: 1
from 1096.40
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Kaji-ichigoside F1 (Standard)
MedChemExpress
  • size: Get quote
  • Variants: 1
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Kaji-ichigoside F1, 99.9%
MedChemExpress
  • size: 5 mg
  • Variants: 1
from 2279.46
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Structural formula: {0} (CAS {1})

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate (CAS 95298-47-8) is a chemical compound with the molecular formula C36H58O10 and a molecular weight of 650.8 g/mol. IUPAC name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate. InChIKey: MLKQAGPAYHTNQQ-FUZXVMJXSA-N.

Identity
Molecular formulaC36H58O10
Molecular weight650.8 g/mol
IUPAC name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
InChIKeyMLKQAGPAYHTNQQ-FUZXVMJXSA-N
SMILESC[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H](C5(C)C)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: Kajiichigoside F1, kaji-ichigoside F1, KajiichigosideF1, orb2943142, 1-O-(2alpha,3alpha,19-Trihydroxy-28-oxours-12-en-28-yl)-beta-D-glucopyranose, 2|A,3|A,19|A-Trihydroxylurs-12-en-28-oic acid-28-O-|A-D-glucopyranoside
Related forms of this compound
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate C36H58O10
Isomers (same molecular formula)
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate C36H58O10
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate C36H58O10
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,10,11-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate C36H58O10