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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H43NO4
Molecular Weight 469.656
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SP-111

SMILES

CCCCCC1=CC(OC(=O)CCCN2CCOCC2)=C3[C@@H]4C=C(C)CC[C@H]4C(C)(C)OC3=C1

InChI

InChIKey=HAQNKTBQOIAWDB-DNQXCXABSA-N
InChI=1S/C29H43NO4/c1-5-6-7-9-22-19-25(33-27(31)10-8-13-30-14-16-32-17-15-30)28-23-18-21(2)11-12-24(23)29(3,4)34-26(28)20-22/h18-20,23-24H,5-17H2,1-4H3/t23-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H43NO4
Molecular Weight 469.656
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
77FJY4KZ74
Record Status Validated (UNII)
Record Version