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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H38O10
Molecular Weight 678.7237
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of Artonin C

SMILES

CC(C)\C=C\C1=C(O)C(=CC=C1O)C(=O)[C@@H]2[C@H](CC(C)=C[C@@H]2C3=C(O)C=CC(C(=O)\C=C\C4=CC=C(O)C=C4O)=C3O)C5=CC=C(O)C=C5O

InChI

InChIKey=JMWCPXJWKKIWQK-WAPLGSCZSA-N
InChI=1S/C40H38O10/c1-20(2)4-9-26-32(44)14-12-28(38(26)48)40(50)36-29(25-10-8-24(42)19-35(25)47)16-21(3)17-30(36)37-33(45)15-11-27(39(37)49)31(43)13-6-22-5-7-23(41)18-34(22)46/h4-15,17-20,29-30,36,41-42,44-49H,16H2,1-3H3/b9-4+,13-6+/t29-,30+,36-/m1/s1

HIDE SMILES / InChI

Molecular Formula C40H38O10
Molecular Weight 678.7237
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
RV3SX6X6BY
Record Status Validated (UNII)
Record Version