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Details

Stereochemistry ABSOLUTE
Molecular Formula C39H57NO8S
Molecular Weight 699.937
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 7-O-((METHYLSULFANYL)METHYL)MOXIDECTIN

SMILES

CO\N=C1/C[C@]2(C[C@@H]3C[C@@H](C\C=C(C)\C[C@@H](C)\C=C\C=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45OCSC)O2)O[C@@H]([C@H]1C)C(\C)=C\C(C)C

InChI

InChIKey=CFXSRJQWMGUCCF-JEDSSJQTSA-N
InChI=1S/C39H57NO8S/c1-23(2)15-27(6)35-28(7)33(40-43-8)20-38(48-35)19-31-18-30(47-38)14-13-25(4)16-24(3)11-10-12-29-21-44-36-34(41)26(5)17-32(37(42)46-31)39(29,36)45-22-49-9/h10-13,15,17,23-24,28,30-32,34-36,41H,14,16,18-22H2,1-9H3/b11-10+,25-13+,27-15+,29-12+,40-33+/t24-,28-,30+,31-,32-,34+,35+,36+,38-,39+/m0/s1

HIDE SMILES / InChI

Molecular Formula C39H57NO8S
Molecular Weight 699.937
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
H73ZYR212K
Record Status Validated (UNII)
Record Version