input word = C00043198

Metabolite InformationStructural formula
Name 3-O-beta-Lauroyl-cycloart-(23E)-en-25-ol
Formula C42H72O3
Mw 624.54814616
CAS RN 691894-72-1
C_ID C00043198 ,
InChIKey BIRNPJCAAKNGGH-MUOSQTDXNA-N
InChICode InChI=1S/C42H72O3/c1-9-10-11-12-13-14-15-16-17-20-36(43)45-35-24-27-41-30-42(41)29-28-39(7)32(31(2)19-18-25-37(3,4)44)23-26-40(39,8)34(42)22-21-33(41)38(35,5)6/h18,25,31-35,44H,9-17,19-24,26-30H2,1-8H3/b25-18+/t31-,32-,33+,34+,35+,39-,40+,41-,42+/m1/s1
SMILES C1[C@]23[C@H]([C@]4([C@](C1)([C@H](CC4)[C@@H](C/C=C/C(C)(C)O)C)C)C)CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)OC(=O)CCCCCCCCCCC)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeSapium haematospermum Ref.
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OrganismSapium haematospermum
ReferenceWoldemichael,J.Nat.Prod.,67,(2004),598