input word = C00012686

Metabolite InformationStructural formula
Name Austradiol acetate
[1R-(1a,4beta,4abeta,7alpha,8alpha,8aalpha)]-4-Bromodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1,8-naphthalenediol 8-acetate
Formula C17H29BrO3
Mw 360.13000769
CAS RN 82731-83-7
C_ID C00012686 ,
InChIKey STGVJNXXFGCHPJ-UHFFFAOYNA-N
InChICode InChI=1S/C17H29BrO3/c1-10(2)12-6-8-16(4)13(18)7-9-17(5,20)15(16)14(12)21-11(3)19/h10,12-15,20H,6-9H2,1-5H3/t12-,13+,14-,15-,16-,17+/m0/s1
SMILES [C@@]1(CC[C@H]([C@]2([C@@H]1[C@H]([C@@H](CC2)C(C)C)OC(=O)C)C)Br)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Laurencia filiformis Ref.
zoom in