input word = C00048974

Metabolite InformationStructural formula
Name Erythrodiol 3-acetate
Erythrodiol-3-acetate
Formula C32H52O3
Mw 484.39164553
CAS RN 7089-38-5
C_ID C00048974 ,
InChIKey HXBWNAVRXULPIK-VALZPRDSNA-N
InChICode InChI=1S/C32H52O3/c1-21(34)35-26-12-13-29(6)24(28(26,4)5)11-14-31(8)25(29)10-9-22-23-19-27(2,3)15-17-32(23,20-33)18-16-30(22,31)7/h9,23-26,33H,10-20H2,1-8H3/t23-,24-,25+,26-,29-,30+,31+,32+/m0/s1
SMILES C1[C@@H]2[C@](CCC1(C)C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)OC(=O)C)C)C)C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIcacinaceaeGonocaryum calleryanum Ref.
PlantaeLauraceaeLitsea elliptica Ref.
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OrganismLitsea elliptica
ReferenceS. A. Achmad et al., Chem. Abs., (1994), 122, 183193.