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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28O8
Molecular Weight 420.4529
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PANEPOPHENANTHRIN, (-)-

SMILES

CC(C)(O)\C=C\[C@]12[C@H]3C=C4[C@H]([C@H](O)[C@H]5O[C@H]5C4=O)[C@H]1[C@H](O)[C@H]6O[C@H]6[C@@]2(O)OC3(C)C

InChI

InChIKey=WQBRQZUREPTGLI-FVNIXRCTSA-N
InChI=1S/C22H28O8/c1-19(2,26)5-6-21-9-7-8-10(13(24)16-15(28-16)12(8)23)11(21)14(25)17-18(29-17)22(21,27)30-20(9,3)4/h5-7,9-11,13-18,24-27H,1-4H3/b6-5+/t9-,10-,11-,13-,14-,15-,16+,17+,18+,21-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H28O8
Molecular Weight 420.4529
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
M02A4BFR2L
Record Status Validated (UNII)
Record Version