input word = C00044120

Metabolite InformationStructural formula
Name Cholest-4-ene-3alpha,6beta-diol
Formula C27H46O2
Mw 402.34978071
CAS RN 66175-88-0
C_ID C00044120 ,
InChIKey LZHRRGGNNXYJOT-YHSDZYFFNA-N
InChICode InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-23,25,28-29H,6-14,16H2,1-5H3/t18-,19+,20+,21-,22+,23+,25-,26-,27-/m1/s1
SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--RhodomelaceaeAcantophora spicifera Ref.
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OrganismAcantophora spicifera
ReferenceWahidulla,Phytochem.,48,(1998),1203