[(1R,2S,4R,5R)-4-bromo-2-[(2R,5S)-5-bromo-2,6,6-trimethyloxan-2-yl]-5-chloro-5-methylcyclohexyl] acetate

chemical compound

C₁₇H₂₇Br₂ClO₃

[(1R,2S,4R,5R)-4-bromo-2-[(2R,5S)-5-bromo-2,6,6-trimethyloxan-2-yl]-5-chloro-5-methylcyclohexyl] acetate is …
instance of (P31):
type of chemical entityQ113145171

sublass of (P279):
bisabolanesQ108219536

External links are
P233canonical SMILESO=C(OC1CC(Cl)(C)C(Br)CC1C2(OC(C)(C)C(Br)CC2)C)C
P234InChIInChI=1S/C17H27Br2ClO3/c1-10(21)22-12-9-16(4,20)14(19)8-11(12)17(5)7-6-13(18)15(2,3)23-17/h11-14H,6-9H2,1-5H3/t11-,12+,13-,14+,16+,17+/m0/s1
P235InChIKeyFLSDGNYXFPEZAL-IJDKIVTNSA-N
P2017isomeric SMILESCC(=O)O[C@@H]1C[C@@](C)(Cl)[C@H](Br)C[C@@H]1[C@@]1(C)CC[C@H](Br)C(C)(C)O1
P662PubChem CID44626953
P11089UniChem compound ID33536380

P703found in taxonLaurencia catarinensisQ42550466
P2067mass472.001546604
P3364stereoisomer of[(1S,2R,4S,5S)-4-bromo-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-5-chloro-5-methylcyclohexyl] acetateQ104997442
(5S)-5-AcetoxydeoxycaespitolQ104997446

Reverse relations

stereoisomer of (P3364)
Q104997446(5S)-5-Acetoxydeoxycaespitol
Q104997442[(1S,2R,4S,5S)-4-bromo-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-5-chloro-5-methylcyclohexyl] acetate

Q50589304Cytotoxic halogenated metabolites from the Brazilian red alga Laurencia catarinensis.main subjectP921