input word = C00042799

Metabolite InformationStructural formula
Name Ocotillol II
Formula C30H52O3
Mw 460.39164553
CAS RN 19942-04-2
C_ID C00042799 ,
InChIKey RQBNSDSKUAGBOI-HQCYMEHNNA-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 C1[C@H]2[C@]([C@]3([C@H](C1)[C@H](CC3)[C@]1(O[C@@H](CC1)C(C)(O)C)C)C)(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCactaceaeNeolloydia texensis Ref.
PlantaeDipterocarpaceaeDryobalanops aromatica Ref.
PlantaeFouquieriaceaFouquieria splendens Ref.
PlantaeRhizophoraceaeCeriops tagal Ref.
--Fouquiera splenders Ref.
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OrganismFouquiera splenders
ReferenceButruille,Tetrahedron Lett.,(1974),639