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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H18O11
Molecular Weight 530.4359
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XENOCLAUXIN

SMILES

CC(=O)O[C@H]1[C@H]2C3=C(C(O)=C4C(=O)OC(=O)C5=C4C3=C(C)C=C5O)[C@@]16COC(=O)C7=C6C(C2=O)=C(C)C=C7O

InChI

InChIKey=YVWDXSQBVLTUFA-NKLHJNDUSA-N
InChI=1S/C28H18O11/c1-7-4-10(30)14-16-12(7)17-18-22(32)13-8(2)5-11(31)15-20(13)28(6-37-25(15)34,24(18)38-9(3)29)21(17)23(33)19(16)27(36)39-26(14)35/h4-5,18,24,30-31,33H,6H2,1-3H3/t18-,24-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H18O11
Molecular Weight 530.4359
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
8P2YHR7U28
Record Status Validated (UNII)
Record Version