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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H18O10
Molecular Weight 418.3509
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SALVIANOLIC ACID D

SMILES

OC(=O)CC1=C(\C=C\C(=O)O[C@H](CC2=CC(O)=C(O)C=C2)C(O)=O)C=CC(O)=C1O

InChI

InChIKey=KFCMFABBVSIHTB-WUTVXBCWSA-N
InChI=1S/C20H18O10/c21-13-4-1-10(7-15(13)23)8-16(20(28)29)30-18(26)6-3-11-2-5-14(22)19(27)12(11)9-17(24)25/h1-7,16,21-23,27H,8-9H2,(H,24,25)(H,28,29)/b6-3+/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H18O10
Molecular Weight 418.3509
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
28R85321EY
Record Status Validated (UNII)
Record Version