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Concept information

Preferred term

tomatidane  

Type

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

Broader concept

charge

  • 0

formula

  • C27H45NO

inchi

  • InChI=1S/C27H45NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h17-24,28H,5-16H2,1-4H3/t17-,18-,19?,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1

inchikey

  • KOZCINYDCJVLDW-LWXZRZDISA-N

mass

  • 399.65234

monoisotopicmass

  • 399.35012

smiles

  • [H][C@]12C[C@@]3([H])[C@]4([H])CCC5CCCC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@]1(CC[C@H](C)CN1)O2

subset

  • 3_STAR

synonym EXACT

  • (22S,25S)-spirosolane

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:36196

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