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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H36F6O4
Molecular Weight 538.5628
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 9,10-SECOCHOLESTA-5,7,10(19)-TRIEN-23-ONE, 26,26,26,27,27,27-HEXAFLUORO-1,3,25-TRIHYDROXY-, (1.ALPHA.,3.BETA.,5Z,7E)-

SMILES

C[C@H](CC(=O)CC(O)(C(F)(F)F)C(F)(F)F)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C

InChI

InChIKey=INOVHHVTWDEGJE-BPWFBYSLSA-N
InChI=1S/C27H36F6O4/c1-15(11-20(35)14-25(37,26(28,29)30)27(31,32)33)21-8-9-22-17(5-4-10-24(21,22)3)6-7-18-12-19(34)13-23(36)16(18)2/h6-7,15,19,21-23,34,36-37H,2,4-5,8-14H2,1,3H3/b17-6+,18-7-/t15-,19-,21-,22+,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H36F6O4
Molecular Weight 538.5628
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
YB8IU8WOJ4
Record Status Validated (UNII)
Record Version