input word = C00064575

Metabolite InformationStructural formula
Name 28-Nor-urs-12-ene-3beta,17beta-diol
Formula C29H48O2
Mw 428.36543078
CAS RN 851392-99-9
C_ID C00064575
InChIKey OHURLQYFJBUGGV-SQPCZADNSA-N
InChICode InChI=1S/C29H48O2/c1-18-10-15-29(31)17-16-27(6)20(24(29)19(18)2)8-9-22-26(5)13-12-23(30)25(3,4)21(26)11-14-28(22,27)7/h8,18-19,21-24,30-31H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,26+,27-,28-,29+/m1/s1
SMILES CC1CCC2(O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium oleander Ref.
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