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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H33N3O3
Molecular Weight 447.5692
Optical Activity ( - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Marcfortine C, (-)-

SMILES

CC1(C)[C@@H]2C[C@]34CCCCN3C[C@@]2(C[C@@]15C(=O)NC6=C7C=CC(C)(C)OC7=CC=C56)NC4=O

InChI

InChIKey=MEDWEEBWLKOHES-DWJNZRAMSA-N
InChI=1S/C27H33N3O3/c1-23(2)11-9-16-18(33-23)8-7-17-20(16)28-22(32)27(17)14-25-15-30-12-6-5-10-26(30,21(31)29-25)13-19(25)24(27,3)4/h7-9,11,19H,5-6,10,12-15H2,1-4H3,(H,28,32)(H,29,31)/t19-,25+,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H33N3O3
Molecular Weight 447.5692
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
55R4KE2UML
Record Status Validated (UNII)
Record Version