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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > ursololactone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > ursololactone

Preferred term

ursololactone  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C32H50O4

inchi

  • InChI=1S/C32H50O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h19-20,22-25H,9-18H2,1-8H3/t19-,20+,22?,23?,24+,25-,28+,29-,30+,31+,32+/m1/s1

inchikey

  • NJLCBLDWBHWOFU-KEEAFDKNSA-N

mass

  • 498.748

monoisotopicmass

  • 498.37091

smiles

  • O1[C@@]23[C@]([C@]4(C([C@@]5(C(CC4)C([C@@H](OC(=O)C)CC5)(C)C)C)CC2)C)(CC[C@@]6([C@]3([C@H]([C@@H](CC6)C)C)[H])C1=O)C

subset

  • 2_STAR

synonym EXACT

  • [(1S,4S,5R,10S,13R,17S,18R,19S,20R)-4,5,9,9,13,19,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169596

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