input word = C00033465

Metabolite InformationStructural formula
Name Variecoacetal B
(+)-Variecoacetal B
Formula C28H44O3
Mw 428.32904527
CAS RN 312624-81-0
C_ID C00033465 ,
InChIKey HWMGYRPZZSXFAX-BBGBOPBCNA-N
InChICode InChI=1S/C28H44O3/c1-8-30-28-15-18(4)21-16-27(6)14-13-26(5)12-11-19(17(2)3)24(26)22(27)10-9-20(23(21)28)25(29-7)31-28/h9,18-19,21-25H,2,8,10-16H2,1,3-7H3/b20-9+/t18-,19+,21-,22-,23-,24+,25-,26-,27+,28+/m0/s1
SMILES C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)C[C@@]5(OCC)O[C@H](OC)/C(=C/C[C@H]3[C@H]12)[C@@H]45
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Emericella aurantio-brunnea Ref.
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