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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H38O6
Molecular Weight 446.5763
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PSEUDOPTEROSIN E

SMILES

[H][C@@]12CC[C@H](C)C3=C(O)C(O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)=C(C)C([C@H](C[C@@H]1C)C=C(C)C)=C23

InChI

InChIKey=LIAAPIYLHKRUNZ-BRPLUSLASA-N
InChI=1S/C26H38O6/c1-11(2)9-16-10-13(4)17-8-7-12(3)18-20(17)19(16)14(5)25(22(18)28)32-26-24(30)23(29)21(27)15(6)31-26/h9,12-13,15-17,21,23-24,26-30H,7-8,10H2,1-6H3/t12-,13-,15-,16-,17+,21+,23+,24-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H38O6
Molecular Weight 446.5763
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
JB99Y7528W
Record Status Validated (UNII)
Record Version