Products 476468-78-7

CAS 476468-78-7 appears in our catalog under these names: 11-Oxomogroside I A1, 11-Oxomogroside I A1, ≥98%, ≥98%. Offered by: TRC, Chemat. Available pack sizes: 10mg, 5mg.

11-Oxomogroside I A1
TRC
  • size: 10mg
  • Variants: 1
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11-Oxomogroside I A1, ≥98%, ≥98%
Chemat
  • size: 5mg
  • Variants: 1
from 3760.40
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Structural formula: {0} (CAS {1})

(3S,8S,9R,10R,13R,14S,17R)-3-hydroxy-17-[(2R,5R)-6-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one (CAS 476468-78-7) is a chemical compound with the molecular formula C36H60O9 and a molecular weight of 636.9 g/mol. IUPAC name: (3S,8S,9R,10R,13R,14S,17R)-3-hydroxy-17-[(2R,5R)-6-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one. InChIKey: FEFDBUMZKFXMGF-AFMKTRLNSA-N.

Identity
Molecular formulaC36H60O9
Molecular weight636.9 g/mol
IUPAC name(3S,8S,9R,10R,13R,14S,17R)-3-hydroxy-17-[(2R,5R)-6-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
InChIKeyFEFDBUMZKFXMGF-AFMKTRLNSA-N
SMILESC[C@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H]2CC[C@@]3([C@@]2(CC(=O)[C@@]4([C@H]3CC=C5[C@H]4CC[C@@H](C5(C)C)O)C)C)C

Computed by PubChem (NCBI)

Synonyms: 11-Oxomogroside I A1, 11-oxo-mogroside IA1, 11-O-mogroside IA1
Isomers (same molecular formula)
(3S,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one C36H60O9