input word = C00042060

Metabolite InformationStructural formula
Name 1alpha,3beta,5beta,11alpha-Tetrahydroxygorgostan-6-one
(-)-1alpha,3beta,5beta,11alpha-Tetrahydroxygorgostan-6-one
Formula C30H50O5
Mw 490.36582471
CAS RN 868279-60-1
C_ID C00042060 ,
InChIKey UUWCPGDVNYWAAR-DBQUVPISNA-N
InChICode InChI=1S/C30H50O5/c1-15(2)17(4)27(5)13-22(27)16(3)20-8-9-21-19-11-25(34)30(35)12-18(31)10-24(33)29(30,7)26(19)23(32)14-28(20,21)6/h15-24,26,31-33,35H,8-14H2,1-7H3/t16-,17+,18-,19-,20+,21-,22+,23+,24-,26+,27+,28+,29+,30+/m0/s1
SMILES CC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@H](O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Isis hippuris Ref.
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OrganismIsis hippuris
ReferenceChao,J.Nat.Prod.,68,(2005),1366