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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H56O3
Molecular Weight 584.8708
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 9
Charge 0

SHOW SMILES / InChI
Structure of ANTHERAXANTHIN

SMILES

CC(\C=C\C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C

InChI

InChIKey=OFNSUWBAQRCHAV-OYQUVCAXSA-N
InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1

HIDE SMILES / InChI

Molecular Formula C40H56O3
Molecular Weight 584.8708
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 9
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
0306J2L3DV
Record Status Validated (UNII)
Record Version