Products 101921-35-1

CAS 101921-35-1 is the registry number for Crepidiaside B, ≥98%. Offered by: Chemat. Available pack sizes: 10mg.

Crepidiaside B, ≥98%
Chemat
  • size: 10mg
  • Variants: 1
from 3021.20
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Structural formula: {0} (CAS {1})

(3S,3aS,9aS,9bS)-3,6-dimethyl-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione (CAS 101921-35-1) is a chemical compound with the molecular formula C21H28O9 and a molecular weight of 424.4 g/mol. IUPAC name: (3S,3aS,9aS,9bS)-3,6-dimethyl-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione. InChIKey: BUHZTPLXMFRPCK-CKCUUXPSSA-N.

Identity
Molecular formulaC21H28O9
Molecular weight424.4 g/mol
IUPAC name(3S,3aS,9aS,9bS)-3,6-dimethyl-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
InChIKeyBUHZTPLXMFRPCK-CKCUUXPSSA-N
SMILESC[C@H]1[C@@H]2CCC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C

Computed by PubChem (NCBI)

Synonyms: Crepidiaside B, orb1990450
Isomers (same molecular formula)
(E)-6-[1-hydroxy-6-methoxy-4-(2-methoxyethoxymethoxy)-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid C21H28O9
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (6E,10Z)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate C21H28O9
(3aR,4R,6aR,8S,9aR,9bR)-4-hydroxy-3,6,9-trimethylidene-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one C21H28O9