skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

organic anion > carboxylic acid anion > monocarboxylic acid anion > hederagenin(1-)

Preferred term

hederagenin(1-)  

Type

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

Broader concept

charge

  • -1

formula

  • C30H47O4

inchi

  • InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/p-1/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1

inchikey

  • PGOYMURMZNDHNS-MYPRUECHSA-M

is_conjugate_base_of

mass

  • 471.693

monoisotopicmass

  • 471.34798

smiles

  • C1C[C@]2([C@]([C@]([C@H]1O)(C)CO)(CC[C@@]3([C@@]2(CC=C4[C@]3(CC[C@@]5([C@]4(CC(CC5)(C)C)[H])C([O-])=O)C)[H])C)[H])C

subset

  • 3_STAR

synonym EXACT

  • 3beta,23-dihydroxyolean-12-en-28-oate

synonym RELATED

  • (3beta)-3,23-dihydroxyolean-12-en-28-oate
  • hederagenin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:140466

Download this concept:

RDF/XML TURTLE JSON-LD