input word = C00045179

Metabolite InformationStructural formula
Name 3beta-Hydroxy-5alpha-pregn-16-en-20-one
(+)-3beta-Hydroxy-5alpha-pregn-16-en-20-one
Formula C21H32O2
Mw 316.24023027
CAS RN 566-61-0
C_ID C00045179 ,
InChIKey SFXPZLCQRZASKK-UWSZTAPXNA-N
InChICode InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16-,18-,19-,20-,21+/m0/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)(C(=CC2)C(=O)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCosmos pringlei Ref.
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OrganismCosmos pringlei
ReferenceMata,J.Nat.Prod.,65,(2002),1030