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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H37NO8
Molecular Weight 515.5953
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NARGENICIN

SMILES

[H][C@]12C=C[C@]3([H])C[C@H](OC)C(=O)O[C@]([H])([C@@H](C)O)[C@H](C)\C=C(C)\[C@]34O[C@H]1[C@H](OC(=O)C5=CC=CN5)[C@H](C)[C@@H](O)[C@]24[H]

InChI

InChIKey=YEUSSARNQQYBKH-SIMZXIQRSA-N
InChI=1S/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/b14-11+/t13-,15-,16-,17-,18-,20+,21+,22-,23+,24-,25-,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H37NO8
Molecular Weight 515.5953
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
XP2QP458K4
Record Status Validated (UNII)
Record Version