input word = C00040493

Metabolite InformationStructural formula
Name Tirucalla-7,24-dien-3beta-ol
Formula C30H50O
Mw 426.38616622
CAS RN 33755-52-1
C_ID C00040493 ,
InChIKey DICCPNLDOZNSML-UAQKHIGTNA-N
InChICode InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,21-23,25-26,31H,9,11,13-19H2,1-8H3/t21-,22-,23-,25-,26-,28+,29-,30+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1C(=CC2)[C@@]2([C@@](CC1)([C@@H](CC2)[C@@H](C)CCC=C(C)C)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaePedilanthus tithymaloides Ref.
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