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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H25NO2
Molecular Weight 275.3859
Optical Activity ( - )
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MAGELLANINE

SMILES

CN1CC[C@H]2[C@H](C[C@]34[C@H](C[C@H](O)[C@H]23)CC(C)=CC4=O)C1

InChI

InChIKey=ADRPSBGLUHNVOU-INSRFAMQSA-N
InChI=1S/C17H25NO2/c1-10-5-12-7-14(19)16-13-3-4-18(2)9-11(13)8-17(12,16)15(20)6-10/h6,11-14,16,19H,3-5,7-9H2,1-2H3/t11-,12+,13+,14+,16+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H25NO2
Molecular Weight 275.3859
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
BLX5LW8WRA
Record Status Validated (UNII)
Record Version