Products 151466-56-7

CAS 151466-56-7 is the registry number for Dianchinenoside B. Offered by: Sigma-Aldrich. Available pack sizes: 1MG.

Dianchinenoside B
Sigma-Aldrich
  • size: 1MG
  • Variants: 1
from 2206.00
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Structural formula: {0} (CAS {1})

(3S,4S,6aR,6bS,8R,8aR,12aS,14bR)-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid (CAS 151466-56-7) is a chemical compound with the molecular formula C41H64O15 and a molecular weight of 796.9 g/mol. IUPAC name: (3S,4S,6aR,6bS,8R,8aR,12aS,14bR)-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid. InChIKey: ARNBRPDSKOETGW-BWRWHWAYSA-N.

Identity
Molecular formulaC41H64O15
Molecular weight796.9 g/mol
IUPAC name(3S,4S,6aR,6bS,8R,8aR,12aS,14bR)-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
InChIKeyARNBRPDSKOETGW-BWRWHWAYSA-N
SMILESC[C@]12CC[C@@H]([C@@](C1CC[C@@]3(C2CC=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)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O

Computed by PubChem (NCBI)

Synonyms: Dianchinenoside B, Dianchinenoside B, >=95% (LC/MS-ELSD), Dianchinoside B, orb1991075
Isomers (same molecular formula)
3-[(3S,5R,8R,9S,10S,12R,13S,14S,16S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one C41H64O15