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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24N2O4
Molecular Weight 368.4263
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SPECIOPHYLLINE

SMILES

COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4([C@H]3C[C@H]12)C(=O)NC5=C4C=CC=C5

InChI

InChIKey=JMIAZDVHNCCPDM-ZUNJVLJPSA-N
InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14-,18+,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H24N2O4
Molecular Weight 368.4263
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
ET6RF2PE1P
Record Status Validated (UNII)
Record Version