(Q104962334)

English

[(1S,4S)-4-bromo-1-[[(1S,4S,5S,6R,9S)-9-bromo-10-hydroxy-6-methyl-11-oxatricyclo[4.3.2.01,5]undecan-4-yl]methyl]-3,3-dimethylcyclohexyl] acetate

group of stereoisomers with the chemical formula C₂₂H₃₄Br₂O₄

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instance of

group of stereoisomers

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1 reference

520.0823837680001 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₃₄Br₂O₄

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canonical SMILES

O=C(OC1(CCC(Br)C(C)(C)C1)CC2CCC34C(O)OC(C)(CCC3Br)C24)C

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isomeric SMILES

CC(=O)O[C@]1(C[C@@H]2CC[C@]34C(O)O[C@](C)(CC[C@@H]3Br)[C@@H]24)CC[C@H](Br)C(C)(C)C1

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Identifiers

InChI

InChI=1S/C22H34Br2O4/c1-13(25)27-21(9-7-15(23)19(2,3)12-21)11-14-5-10-22-16(24)6-8-20(4,17(14)22)28-18(22)26/h14-18,26H,5-12H2,1-4H3/t14-,15-,16-,17+,18?,20+,21-,22-/m0/s1

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InChIKey

CKHNDLWTFRQLAJ-FDUGOWHASA-N

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PubChem CID

162926291

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

CKHNDLWTFRQLAJ-FDUGOWHASA-N

(Q104962334)

[(1S,4S)-4-bromo-1-[[(1S,4S,5S,6R,9S)-9-bromo-10-hydroxy-6-methyl-11-oxatricyclo[4.3.2.01,5]undecan-4-yl]methyl]-3,3-dimethylcyclohexyl] acetate

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