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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H30O8.C2H4O2
Molecular Weight 578.6064
Optical Activity NONE
Additional Stereochemistry Yes
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, R

SHOW SMILES / InChI
Structure of GOSSYPOL ACETIC ACID, (R)-

SMILES

CC(O)=O.CC(C)C1=C(O)C(O)=C(C=O)C2=C(O)C(=C(C)C=C12)C3=C(O)C4=C(C=C3C)C(C(C)C)=C(O)C(O)=C4C=O

InChI

InChIKey=NIOHNDKHQHVLKA-UHFFFAOYSA-N
InChI=1S/C30H30O8.C2H4O2/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36;1-2(3)4/h7-12,33-38H,1-6H3;1H3,(H,3,4)

HIDE SMILES / InChI

Molecular Formula C2H4O2
Molecular Weight 60.052
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C30H30O8
Molecular Weight 518.5544
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
U9GNI6VT5N
Record Status Validated (UNII)
Record Version