input word = C00041260

Metabolite InformationStructural formula
Name 2-Ethoxycarbonyl-24-ethyl-2beta-hydroxy-A-nor-cholesta-5-en-4-one
(-)-2-Ethoxycarbonyl-24-ethyl-2beta-hydroxy-A-nor-cholesta-5-en-4-one
Formula C31H50O4
Mw 486.37091008
CAS RN 912344-52-6
C_ID C00041260 ,
InChIKey JJTMZAZHPXGMNB-FPPOQXDGNA-N
InChICode InChI=1S/C31H50O4/c1-8-21(19(3)4)11-10-20(5)23-14-15-24-22-12-13-26-27(32)31(34,28(33)35-9-2)18-30(26,7)25(22)16-17-29(23,24)6/h13,19-25,34H,8-12,14-18H2,1-7H3/t20-,21+,22+,23-,24+,25+,29-,30-,31+/m1/s1
SMILES CCOC(=O)[C@]1(O)C[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(CC)C(C)C)[C@@]4(C)CC[C@@H]32)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaChalinidaeHaliclona oculata Ref.
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OrganismHaliclona oculata
ReferenceYu,J.Nat.Prod.,69,(2006),1330