input word = C00041541

Metabolite InformationStructural formula
Name Gibberoepoxysterol
(-)-Gibberoepoxysterol
Formula C28H46O3
Mw 430.34469533
CAS RN 911366-26-2
C_ID C00041541 ,
InChIKey GPCQIPUVKXSNKM-ONCSZDNJNA-N
InChICode InChI=1S/C28H46O3/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25-28(31-25)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h16,18-25,29-30H,3,7-15H2,1-2,4-6H3/t18-,19+,20+,21-,22+,23+,24+,25+,26-,27+,28+/m1/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@H](CC3)[C@@H](CCC(=C)C(C)C)C)C)C[C@H]1[C@@]3([C@@]2([C@H](C[C@@H](C3)O)O)C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia gibberosa Ref.
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OrganismSinularia gibberosa
ReferenceAhmed,J.Nat.Prod.,69,(2006),1275