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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H22O7
Molecular Weight 410.4166
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of EPICOCCONONE

SMILES

C\C=C\C=C\C=C\C(=O)\C=C(/O)C1=C2C=C3C[C@@H](CO)OC=C3C(=O)[C@@]2(C)OC1=O

InChI

InChIKey=JKMBMIMLVFMXRW-LYYFRFARSA-N
InChI=1S/C23H22O7/c1-3-4-5-6-7-8-15(25)11-19(26)20-18-10-14-9-16(12-24)29-13-17(14)21(27)23(18,2)30-22(20)28/h3-8,10-11,13,16,24,26H,9,12H2,1-2H3/b4-3+,6-5+,8-7+,19-11-/t16-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H22O7
Molecular Weight 410.4166
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 4
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
6QLH9631R8
Record Status Validated (UNII)
Record Version