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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H35NO3
Molecular Weight 433.5824
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Etrinabdione

SMILES

CCCCCC1=C(NCC2=CC=CC=C2)C(=O)C([C@@H]3C=C(C)CC[C@H]3C(C)=C)=C(O)C1=O

InChI

InChIKey=NTGIXJASMBWXRO-JTHBVZDNSA-N
InChI=1S/C28H35NO3/c1-5-6-8-13-22-25(29-17-20-11-9-7-10-12-20)27(31)24(28(32)26(22)30)23-16-19(4)14-15-21(23)18(2)3/h7,9-12,16,21,23,29,32H,2,5-6,8,13-15,17H2,1,3-4H3/t21-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H35NO3
Molecular Weight 433.5824
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
KTJCIKNF3F
Record Status Validated (UNII)
Record Version