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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H22O6
Molecular Weight 454.4707
Optical Activity ( + )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ampelopsin B, (+)-

SMILES

[H][C@]12[C@H](OC3=CC(O)=CC(C[C@@H](C4=CC=C(O)C=C4)C5=C(O)C=C(O)C=C15)=C23)C6=CC=C(O)C=C6

InChI

InChIKey=JJCVXDDMIRXVJA-YNOBPPCASA-N
InChI=1S/C28H22O6/c29-17-5-1-14(2-6-17)21-10-16-9-19(31)13-24-25(16)27(22-11-20(32)12-23(33)26(21)22)28(34-24)15-3-7-18(30)8-4-15/h1-9,11-13,21,27-33H,10H2/t21-,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H22O6
Molecular Weight 454.4707
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
BX77KJ8J5L
Record Status Validated (UNII)
Record Version