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Details

Stereochemistry MIXED
Molecular Formula C30H48O6
Molecular Weight 504.6985
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 13
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Anicequol

SMILES

CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1[C@H](C[C@H]2[C@@H]3[C@@H](O)C(=O)[C@H]4C[C@@H](O)CC[C@]4(C)C3[C@@H](O)C[C@]12C)OC(C)=O

InChI

InChIKey=LWMKDRSIMLTGDK-VKUMDVJMSA-N
InChI=1S/C30H48O6/c1-15(2)16(3)8-9-17(4)25-23(36-18(5)31)13-20-24-26(22(33)14-30(20,25)7)29(6)11-10-19(32)12-21(29)27(34)28(24)35/h8-9,15-17,19-26,28,32-33,35H,10-14H2,1-7H3/b9-8+/t16-,17?,19-,20-,21+,22-,23-,24-,25-,26?,28+,29-,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H48O6
Molecular Weight 504.6985
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 12 / 13
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
5HJL84XH3J
Record Status Validated (UNII)
Record Version