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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 > 3beta-hydroxy-28,13-ursanolide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > 3beta-hydroxy-28,13-ursanolide

Preferred term

3beta-hydroxy-28,13-ursanolide  

Type

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

Broader concept

charge

  • 0

formula

  • C30H48O3

inchi

  • InChI=1S/C30H48O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h18-23,31H,8-17H2,1-7H3/t18-,19+,20?,21?,22+,23-,26+,27-,28+,29+,30+/m1/s1

inchikey

  • JGZVNQDYYGVIBP-DCIJUUGPSA-N

mass

  • 456.711

monoisotopicmass

  • 456.36035

smiles

  • O1[C@@]23[C@]([C@]4(C([C@@]5(C(CC4)C([C@@H](O)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)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-23-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:192016

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