input word = C00063547

Metabolite InformationStructural formula
Name (3beta,4beta,5beta,8alpha,9beta,10alpha,13alpha,14beta)-5,9,13-Trimethyl-24,25,26-trinoroleanane-3,28-diol, diacetate
Formula C34H56O4
Mw 528.41786028
CAS RN 98752-07-9
C_ID C00063547
InChIKey QHKFGWQRNCDSOF-ISDJVFQDSA-N
InChICode InChI=1S/C34H56O4/c1-22-25(38-24(3)36)10-11-26-30(22,6)13-12-27-31(26,7)15-16-33(9)28-20-29(4,5)14-18-34(28,21-37-23(2)35)19-17-32(27,33)8/h22,25-28H,10-21H2,1-9H3/t22-,25-,26+,27-,28-,30+,31-,32+,33-,34+/m0/s1
SMILES CC(=O)OCC12CCC(C)(C)CC1C1(C)CCC3(C)C4CCC(OC(C)=O)C(C)C4(C)CCC3C1(C)CC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBuxaceaePachysandra terminalis Ref.
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