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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H28O12
Molecular Weight 496.4612
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACETYLGASTRODIN

SMILES

CC(=O)OC[C@H]1O[C@@H](OC2=CC=C(COC(C)=O)C=C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

InChI

InChIKey=AWBGTSBWAGMLKA-XNBWIAOKSA-N
InChI=1S/C23H28O12/c1-12(24)29-10-17-6-8-18(9-7-17)34-23-22(33-16(5)28)21(32-15(4)27)20(31-14(3)26)19(35-23)11-30-13(2)25/h6-9,19-23H,10-11H2,1-5H3/t19-,20-,21+,22-,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H28O12
Molecular Weight 496.4612
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
XQA4GK13X2
Record Status Validated (UNII)
Record Version