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

Preferred term

schidigeragenin b  

Type

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

Broader concept

charge

  • 0

formula

  • C27H40O4

inchi

  • InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h16-22,24,28H,1,5-14H2,2-4H3/t16-,17+,18-,19+,20-,21-,22-,24-,25-,26+,27+/m0/s1

inchikey

  • NTVAFGGHUHTGEK-ZSRPSOFJSA-N

mass

  • 428.613

monoisotopicmass

  • 428.29266

smiles

  • O1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@@]5([C@](CC4)(C[C@@H](O)CC5)[H])C)(CC3=O)[H])[H])(C2)[H])C)([C@@H]([C@]16OCC(CC6)=C)C)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • (1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-16-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:171906

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