input word = C00011656

Metabolite InformationStructural formula
Name [1alpha,1(2R*,3S*,5S*),2beta,4alpha,5beta]-(+)-1-[3-(Acetyloxy)-5-bromotetrahydro-2,6,6-trimethyl-2H-pyran-2-yl]5-bromo-4-chloro-4-methyl-1,2-cyclohexanediol
Formula C17H27Br2ClO5
Mw 503.99137748
CAS RN 72903-49-9
C_ID C00011656 ,
InChIKey WYLMPPJIVJAKPN-GGAQJBADNA-N
InChICode InChI=1S/C17H27Br2ClO5/c1-9(21)24-13-6-10(18)14(2,3)25-16(13,5)17(23)7-11(19)15(4,20)8-12(17)22/h10-13,22-23H,6-8H2,1-5H3/t10-,11+,12+,13-,15+,16+,17+/m1/s1
SMILES C1[C@H]([C@](OC([C@@H]1Br)(C)C)([C@]1([C@H](C[C@]([C@H](C1)Br)(C)Cl)O)O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia dactylomela Ref.
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OrganismAplysia dactylomela
ReferenceSchmitz,J.Org.Chem.,45,(1980),1525