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Details

Stereochemistry EPIMERIC
Molecular Formula C16H23NO7
Molecular Weight 341.3563
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MONOCROTALINE OXIDE

SMILES

C[C@H]1C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23

InChI

InChIKey=LHVAZUAALQTANZ-ANYXPJNNSA-N
InChI=1S/C16H23NO7/c1-9-13(18)24-11-5-7-17(22)6-4-10(12(11)17)8-23-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-,17?/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H23NO7
Molecular Weight 341.3563
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
2LCP0RBK6G
Record Status Validated (UNII)
Record Version