input word = C00012687

Metabolite InformationStructural formula
Name [1R-(1alpha,4beta,4abeta,7alpha,8alpha,8aalpha)]-4-Bromodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1,8-naphthalenediol diacetate
Austradiol diacetate
Formula C19H31BrO4
Mw 402.14057238
CAS RN 82731-84-8
C_ID C00012687 ,
InChIKey SOZPSBKXHQXTOZ-YPFKGKLXNA-N
InChICode InChI=1S/C19H31BrO4/c1-11(2)14-7-9-18(5)15(20)8-10-19(6,24-13(4)22)17(18)16(14)23-12(3)21/h11,14-17H,7-10H2,1-6H3/t14-,15-,16+,17-,18+,19-/m1/s1
SMILES [C@H]1(CC[C@@]([C@H]2[C@]1(CC[C@@H]([C@@H]2OC(=O)C)C(C)C)C)(C)OC(=O)C)Br
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Laurencia filiformis Ref.
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