(Q104962338)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

[(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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

520.082383768 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3abeta,8S)-4-Methyl-4alpha,7aalpha-(epoxymethano)-7alpha-bromo-3beta-[[1alpha-acetoxy-4alpha-bromo-5,5-dimethylcyclohexyl]methyl]octahydro-1H-indene-8-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₄Br₂O₄

0 references

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

0 references

found in taxon

Laurencia mariannensis

1 reference

stated in

Diterpenes, sesquiterpenes, and a C15-acetogenin from the marine red alga Laurencia mariannensis.

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

0 references

InChIKey

CKHNDLWTFRQLAJ-UAJZKUBTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CKHNDLWTFRQLAJ-UAJZKUBTSA-N

(Q104962338)

[(1S,4S)-4-bromo-1-[[(1S,4S,5S,6R,9S,10R)-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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