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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H56O12
Molecular Weight 680.8226
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLOFUSICOCCIN

SMILES

COC[C@H]1CC[C@H]2[C@@H](C)[C@@H](O)[C@H](O[C@H]3O[C@H](COC(C)(C)C=C)[C@@H](O)[C@H](O)[C@H]3OC(C)=O)C4=C(C[C@H](O)[C@@H]4C(C)=C12)[C@@H](C)COC(C)=O

InChI

InChIKey=VIDHLMDVVXUKKF-CHKMVKNFSA-N
InChI=1S/C36H56O12/c1-10-36(7,8)45-16-26-31(41)32(42)34(46-21(6)38)35(47-26)48-33-29-24(17(2)14-44-20(5)37)13-25(39)28(29)19(4)27-22(15-43-9)11-12-23(27)18(3)30(33)40/h10,17-18,22-23,25-26,28,30-35,39-42H,1,11-16H2,2-9H3/b27-19-/t17-,18+,22+,23-,25-,26+,28-,30+,31+,32-,33+,34+,35+/m0/s1

HIDE SMILES / InChI

Molecular Formula C36H56O12
Molecular Weight 680.8226
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 13 / 13
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
LA46MX7W6X
Record Status Validated (UNII)
Record Version