input word = C00042084

Metabolite InformationStructural formula
Name 28-Norurs-12-en-3beta-ol
Formula C29H48O
Mw 412.37051615
CAS RN 99520-70-4
C_ID C00042084 ,
InChIKey PGJJEFIRPZZQMS-PPOLOZMGNA-N
InChICode InChI=1S/C29H48O/c1-18-8-9-20-12-16-28(6)21(25(20)19(18)2)10-11-23-27(5)15-14-24(30)26(3,4)22(27)13-17-29(23,28)7/h10,18-20,22-25,30H,8-9,11-17H2,1-7H3/t18-,19+,20-,22+,23-,24+,25+,27+,28-,29-/m1/s1
SMILES C1[C@]2([C@H](C([C@H](C1)O)(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@H]1[C@@H]2[C@H]([C@@H](CC1)C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium oleander Ref.
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OrganismNerium oleander
ReferenceFu,J.Nat.Prod.,68,(2005),198