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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H26O7
Molecular Weight 402.4376
Optical Activity ( + )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GMELINOL

SMILES

COC1=CC=C(C=C1OC)[C@@H]2OC[C@@]3(O)[C@@H]2CO[C@@H]3C4=CC=C(OC)C(OC)=C4

InChI

InChIKey=MEIWPHMJWJAVIY-WWGKXEARSA-N
InChI=1S/C22H26O7/c1-24-16-7-5-13(9-18(16)26-3)20-15-11-28-21(22(15,23)12-29-20)14-6-8-17(25-2)19(10-14)27-4/h5-10,15,20-21,23H,11-12H2,1-4H3/t15-,20+,21-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H26O7
Molecular Weight 402.4376
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
BX2Y2S5M5Y
Record Status Validated (UNII)
Record Version