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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H40O6
Molecular Weight 460.6029
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PROPAN-2-YL (5Z)-7-((1R,2R,3R,5S)-3-(FORMYLOXY)-5-HYDROXY-2-((3R)-3-HYDROXY-5-PHENYLPENTYL)CYCLOPENTYL)HEPT-5-ENOATE

SMILES

CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](OC=O)[C@@H]1CC[C@@H](O)CCC2=CC=CC=C2

InChI

InChIKey=XMNLNTCBRUDGKU-WRTVGXDLSA-N
InChI=1S/C27H40O6/c1-20(2)33-27(31)13-9-4-3-8-12-23-24(26(32-19-28)18-25(23)30)17-16-22(29)15-14-21-10-6-5-7-11-21/h3,5-8,10-11,19-20,22-26,29-30H,4,9,12-18H2,1-2H3/b8-3-/t22-,23+,24+,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H40O6
Molecular Weight 460.6029
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
L52RSE5UMA
Record Status Validated (UNII)
Record Version