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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H29NO5
Molecular Weight 435.5122
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VERTINE

SMILES

COC1=CC2=C(C=C1OC)C3=CC(=CC=C3O)C=CC(=O)O[C@H]4C[C@H]5CCCCN5[C@H]2C4

InChI

InChIKey=WCZWUYYJZVBKDZ-VMSBZHFZSA-N
InChI=1S/C26H29NO5/c1-30-24-14-19-20(15-25(24)31-2)22-13-18(12-17-5-3-4-10-27(17)22)32-26(29)9-7-16-6-8-23(28)21(19)11-16/h6-9,11,14-15,17-18,22,28H,3-5,10,12-13H2,1-2H3/b9-7-/t17-,18+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H29NO5
Molecular Weight 435.5122
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
OR77C8W8TA
Record Status Validated (UNII)
Record Version