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Details

Stereochemistry ACHIRAL
Molecular Formula C35H18O15
Molecular Weight 678.5084
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of NORBADIONE A

SMILES

OC(=O)C(=C1\OC(=O)C(=C1O)C2=CC3=C4C(OC3=O)=C(O)C=C(C5=C(O)\C(OC5=O)=C(/C(O)=O)C6=CC=C(O)C=C6)C4=C2)\C7=CC=C(O)C=C7

InChI

InChIKey=NEAFOYGNZAYARY-KBWMUOTDSA-N
InChI=1S/C35H18O15/c36-15-5-1-12(2-6-15)22(31(41)42)29-26(39)21(34(46)49-29)14-9-17-18(11-20(38)28-24(17)19(10-14)33(45)48-28)25-27(40)30(50-35(25)47)23(32(43)44)13-3-7-16(37)8-4-13/h1-11,36-40H,(H,41,42)(H,43,44)/b29-22+,30-23+

HIDE SMILES / InChI

Molecular Formula C35H18O15
Molecular Weight 678.5084
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
8DH6BNL8BA
Record Status Validated (UNII)
Record Version