input word = C00046837

Metabolite InformationStructural formula
Name Numersterol A
Formula C28H48O4
Mw 448.35526002
CAS RN 124596-64-1
C_ID C00046837 ,
InChIKey CXPIFTPKWGXGCI-VBIMTZDCNA-N
InChICode InChI=1S/C28H48O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25(31)28(32)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h16,18-25,29-32H,3,7-15H2,1-2,4-6H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+/m1/s1
SMILES C1[C@@H](C[C@]2([C@]([C@H]1O)([C@@H]1[C@@H](C[C@H]2O)[C@H]2[C@](CC1)([C@H](CC2)[C@@H](CCC(=C)C(C)C)C)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia sp. Ref.
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OrganismSinularia sp.
ReferenceSheu,J.Nat.Prod.,63,(2000),149