input word = C00036260

Metabolite InformationStructural formula
Name 6-Deoxo-28-nortyphasterol
28-Nortyphasterol
Formula C27H48O3
Mw 420.3603454
CAS RN 378795-16-5
C_ID C00036260 ,
InChIKey NBTBEPDPHDQBGN-XUAXALGMNA-N
InChICode InChI=1S/C27H48O3/c1-6-16(2)24(29)25(30)17(3)21-9-10-22-20-8-7-18-15-19(28)11-13-26(18,4)23(20)12-14-27(21,22)5/h16-25,28-30H,6-15H2,1-5H3/t16-,17+,18+,19-,20+,21-,22+,23+,24-,25-,26+,27+/m1/s1
SMILES C1[C@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@@](CC1)([C@H](CC2)[C@@H]([C@H]([C@@H]([C@H](C)CC)O)O)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana (L.) Heynh. Ref.
PlantaeSolanaceaeLycopersicon esculentum Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
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OrganismLycopersicon esculentum
ReferenceYokota, T. et al., Phytochemistry, 2001, 58, 233-238 (isol, pmr, synth)