input word = C00042003

Metabolite InformationStructural formula
Name Ocotillol
(20S,24R)-Epoxydammarane-3beta,25-diol
Formula C30H52O3
Mw 460.39164553
CAS RN 5986-39-0
C_ID C00042003 ,
InChIKey RQBNSDSKUAGBOI-ZDKUSFMDNA-N
InChICode InChI=1S/C30H52O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1
SMILES CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium oleander Ref.
PlantaeAraliaceaePanax ginseng Ref.
PlantaeBetulaceaeBetula platyphylla var. japonica Ref.
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OrganismNerium oleander
ReferenceFu,J.Nat.Prod.,68,(2005),198