input word = C00028020

Metabolite InformationStructural formula
Name Cephalostatin 15
Formula C55H72N2O12
Mw 952.50852578
CAS RN 159602-65-0
C_ID C00028020 ,
InChIKey QJKIJCMBSFDTKP-UHFFFAOYNA-N
InChICode InChI=1S/C55H74N2O12/c1-25-31-17-43-55(67-43)50(31,24-65-53(25)44(62)26(2)45(4,5)68-53)40(60)19-38-48(8)21-37-35(15-29(48)12-13-51(38,55)63)56-36-20-47(7)28(14-34(36)57-37)10-11-30-32(47)16-39(59)49(9)33(30)18-42-52(49,64)27(3)54(66-42)41(61)22-46(6,23-58)69-54/h18-19,25-32,39,41-44,58-59,61-64H,10-17,20-24H2,1-9H3/t25-,26+,27+,28+,29+,30-,31-,32+,39-,41+,42-,43+,44+,46-,47-,48-,49-,50+,51+,52+,53+,54-,55+/m1/s1
SMILES [C@@H]12CC[C@@]3(C(=CC(=O)[C@@]45[C@]63[C@H](C[C@@H]4[C@H]([C@@]3(OC5)[C@H]([C@@H](C(O3)(C)C)C)O)C)O6)[C@@]1(Cc1c(C2)nc2c(n1)C[C@H]1[C@@](C2)([C@@H]2[C@@H](CC1)C1=C[C@@H]3[C@]([C@]1([C@@H](C2)O)C)([C@@H]([C@@]1(O3)O[C@@](C[C@@H]1O)(C)CO)C)O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
--Cephalodiscus gilchristi Ref.
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OrganismCephalodiscus gilchristi
ReferencePettit,Can.J.Chem.,72,(1994),2260