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Details

Stereochemistry ABSOLUTE
Molecular Formula C85H140O8
Molecular Weight 1290.0163
Optical Activity UNSPECIFIED
Defined Stereocenters 24 / 24
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTAERYTHRITYL TETRA(TETRAHYDROABIETATE)

SMILES

CC(C)[C@@H]1CC[C@H]2[C@@H](CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)OCC(COC(=O)[C@]4(C)CCC[C@]5(C)[C@H]6CC[C@H](C[C@@H]6CC[C@@H]45)C(C)C)(COC(=O)[C@]7(C)CCC[C@]8(C)[C@H]9CC[C@H](C[C@@H]9CC[C@@H]78)C(C)C)COC(=O)[C@]%10(C)CCC[C@]%11(C)[C@H]%12CC[C@H](C[C@@H]%12CC[C@@H]%10%11)C(C)C)C1

InChI

InChIKey=RZEQAJUKTZPSAD-LQSPRSPPSA-N
InChI=1S/C85H140O8/c1-53(2)57-21-29-65-61(45-57)25-33-69-77(65,9)37-17-41-81(69,13)73(86)90-49-85(50-91-74(87)82(14)42-18-38-78(10)66-30-22-58(54(3)4)46-62(66)26-34-70(78)82,51-92-75(88)83(15)43-19-39-79(11)67-31-23-59(55(5)6)47-63(67)27-35-71(79)83)52-93-76(89)84(16)44-20-40-80(12)68-32-24-60(56(7)8)48-64(68)28-36-72(80)84/h53-72H,17-52H2,1-16H3/t57-,58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,68+,69-,70-,71-,72-,77-,78-,79-,80-,81-,82-,83-,84-/m1/s1

HIDE SMILES / InChI

Molecular Formula C85H140O8
Molecular Weight 1290.0163
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 24 / 24
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
U0EIN38F14
Record Status Validated (UNII)
Record Version