input word = C00049730

Metabolite InformationStructural formula
Name Isogosterone D
(+)-Isogosterone D
Formula C31H44O7
Mw 528.30870376
CAS RN 194856-42-3
C_ID C00049730 ,
InChIKey VZAQLESCSMZQIM-ARKGBBDXNA-N
InChICode InChI=1S/C31H44O7/c1-18(2)8-11-26(35-20(4)32)19(3)31-15-14-30(38-31)24-10-9-22-16-23(34)12-13-28(22,6)25(24)17-27(36-21(5)33)29(30,7)37-31/h12-13,16,18-19,24-27H,8-11,14-15,17H2,1-7H3/t19-,24-,25+,26-,27+,28-,29+,30-,31+/m1/s1
SMILES CC(=O)OC(CCC(C)C)[C@@H](C)C12CC[C@@]3(O1)[C@@H]1CCC4=CC(=O)C=C[C@]4(C)[C@H]1C[C@H](OC(C)=O)[C@]3(C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Dendronephythya sp. Ref.
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OrganismDendronephythya sp.
ReferenceTomono,J.Nat.Prod.,62,(1999),1538