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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H42O6
Molecular Weight 438.5974
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of HERBOXIDIENE

SMILES

CO[C@@H]([C@@H](C)O)[C@@H](C)[C@H]1O[C@]1(C)C[C@H](C)\C=C\C=C(/C)[C@H]2O[C@@H](CC(O)=O)CC[C@@H]2C

InChI

InChIKey=ISZXEMUWHQLLTC-LSIVYLFASA-N
InChI=1S/C25H42O6/c1-15(14-25(6)24(31-25)18(4)23(29-7)19(5)26)9-8-10-16(2)22-17(3)11-12-20(30-22)13-21(27)28/h8-10,15,17-20,22-24,26H,11-14H2,1-7H3,(H,27,28)/b9-8+,16-10+/t15-,17+,18-,19-,20-,22-,23-,24-,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H42O6
Molecular Weight 438.5974
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
QSB7EM5EUD
Record Status Validated (UNII)
Record Version