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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H30O8
Molecular Weight 398.4474
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PTAQUILOSIDE

SMILES

C[C@@H]1C[C@@]3(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C(C)C4(CC4)[C@@](C)(O)[C@H]3C1=O

InChI

InChIKey=GPHSJPVUEZFIDE-YVPLJZHISA-N
InChI=1S/C20H30O8/c1-9-6-20(28-17-15(25)14(24)13(23)11(8-21)27-17)7-10(2)19(4-5-19)18(3,26)16(20)12(9)22/h7,9,11,13-17,21,23-26H,4-6,8H2,1-3H3/t9-,11-,13-,14+,15-,16-,17+,18+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H30O8
Molecular Weight 398.4474
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
F0MN9S5699
Record Status Validated (UNII)
Record Version