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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H52N2
Molecular Weight 428.7366
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 10
E/Z Centers 0
Charge 2

SHOW SMILES / InChI
Structure of DIPYRANDIUM

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)[N+]5(C)CCCC5)[C@@H]1CC[C@@H]2[N+]6(C)CCCC6

InChI

InChIKey=COVDYSZYHYSKND-PJYAFMLMSA-N
InChI=1S/C29H52N2/c1-28-15-13-23(30(3)17-5-6-18-30)21-22(28)9-10-24-25-11-12-27(31(4)19-7-8-20-31)29(25,2)16-14-26(24)28/h22-27H,5-21H2,1-4H3/q+2/t22-,23-,24-,25-,26-,27-,28-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H52N2
Molecular Weight 428.7366
Charge 2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 8 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
Z4VBL3R6F9
Record Status Validated (UNII)
Record Version