input word = C00055179

Metabolite InformationStructural formula
Name Codisterol
Formula C28H46O
Mw 398.35486609
CAS RN 52936-69-3
C_ID C00055179
InChIKey IBAFJAONJZIYIT-ZRUUVFCLSA-N
InChICode InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,19-20,22-26,29H,1,7-8,10-17H2,2-6H3/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1
SMILES C[C@@]12[C@](CC[C@]2([H])[C@H](C)CC[C@@H](C(C)=C)C)([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCucurbita maxima Ref.
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OrganismCucurbita maxima
ReferenceRubinstein, I. et al., Phytochemistry, 1974, 13, 481-484 (Codium fragile constit)