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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28N2O3
Molecular Weight 368.4693
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VOACANGINE

SMILES

[H][C@@]12[C@@H](CC)C[C@H]3C[N@@]1CCC4=C(NC5=C4C=C(OC)C=C5)[C@@]2(C3)C(=O)OC

InChI

InChIKey=MMAYTCMMKJYIAM-PHKAQXKASA-N
InChI=1S/C22H28N2O3/c1-4-14-9-13-11-22(21(25)27-3)19-16(7-8-24(12-13)20(14)22)17-10-15(26-2)5-6-18(17)23-19/h5-6,10,13-14,20,23H,4,7-9,11-12H2,1-3H3/t13-,14+,20+,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H28N2O3
Molecular Weight 368.4693
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
9SY76D3YUK
Record Status Validated (UNII)
Record Version