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Details

Stereochemistry ACHIRAL
Molecular Formula C30H36O4
Molecular Weight 460.6044
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SOPHORADIN

SMILES

CC(C)=CCC1=CC(\C=C\C(=O)C2=C(O)C(CC=C(C)C)=C(O)C=C2)=CC(CC=C(C)C)=C1O

InChI

InChIKey=YAPAFDNQABLIIN-XNTDXEJSSA-N
InChI=1S/C30H36O4/c1-19(2)7-11-23-17-22(18-24(29(23)33)12-8-20(3)4)10-15-27(31)26-14-16-28(32)25(30(26)34)13-9-21(5)6/h7-10,14-18,32-34H,11-13H2,1-6H3/b15-10+

HIDE SMILES / InChI

Molecular Formula C30H36O4
Molecular Weight 460.6044
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
GLR4RE4EBU
Record Status Validated (UNII)
Record Version