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[(8R,9S,13S,14S,17S)-2,4,16,16,17-pentadeuterio-13-methyl-17-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
[(8R,9S,13S,14S,17S)-2,4,16,16,17-pentadeuterio-13-methyl-17-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
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Descriptors Computed from Structure
Canonical SMILES:
CCC=CCC=CCC=CCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=O)CCCCCCCC=CCC=CCC=CCC)C
Isomeric SMILES
[2H]C1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC([C@]4([2H])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)([2H])[2H])C)C(=C1OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)[2H]
InChI
InChI=1S/C54H80O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-52(55)57-46-37-39-47-45(44-46)36-38-49-48(47)42-43-54(3)50(49)40-41-51(54)58-53(56)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h6-9,12-15,18-21,37,39,44,48-51H,4-5,10-11,16-17,22-36,38,40-43H2,1-3H3/b8-6-,9-7-,14-12-,15-13-,20-18-,21-19-/t48-,49-,50+,51+,54+/m1/s1/i37D,41D2,44D,51D
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