PHYSALIN D structure

PHYSALIN D

(1R,2S,8S,9R,14R,15R,17R,18S,21S,24R,26S,27S)-5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone

Also Known As: PHYSALIN D

CAS: 54980-22-2
Molecular Formula C28H32O11
Molecular Weight 544.19446 g/mol
LogP -0.2774
Topological Polar Surface Area 165.89 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 11
Rotatable Bonds 0
Exact Mass 544.19446
Monoisotopic Mass 544.19446
Heavy Atoms 39
Complexity 1326.0836

Chemical Identifiers

CAS Number 54980-22-2
SMILES C[C@]12C[C@@H]3[C@]4([C@]56[C@H]1C(=O)[C@@](O5)([C@@H]7C[C@H]([C@]8(CC=CC(=O)[C@@]8([C@H]7CCC6(C(=O)O4)O)C)O)O)OC[C@H]2C(=O)O3)C

Product Overview

PHYSALIN D (CAS 54980-22-2), with molecular formula C28H32O11 and molecular weight 544.19446 g/mol. IUPAC: (1R,2S,8S,9R,14R,15R,17R,18S,21S,24R,26S,27S)-5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone.

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