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Details

Stereochemistry ACHIRAL
Molecular Formula C43H54O4
Molecular Weight 634.8865
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 8
Charge 0

SHOW SMILES / InChI
Structure of FLEXIRUBIN

SMILES

CCCCCCCCCCCCC1=C(OC(=O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C2=CC(C)=C(O)C=C2)C=C(C)C=C1O

InChI

InChIKey=GFNJWVBJKYYUIN-CMUOTRNOSA-N
InChI=1S/C43H54O4/c1-4-5-6-7-8-9-17-20-23-26-29-39-41(45)33-36(2)34-42(39)47-43(46)30-27-24-21-18-15-13-11-10-12-14-16-19-22-25-28-38-31-32-40(44)37(3)35-38/h10-16,18-19,21-22,24-25,27-28,30-35,44-45H,4-9,17,20,23,26,29H2,1-3H3/b12-10+,13-11+,16-14+,18-15+,22-19+,24-21+,28-25+,30-27+

HIDE SMILES / InChI

Molecular Formula C43H54O4
Molecular Weight 634.8865
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 8
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
SEG49MSH93
Record Status Validated (UNII)
Record Version