skip to main content

Chemistry, part 2

Content language

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

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > (22s,24e)-22-acetoxyl-3alpha-hydroxy-7-oxolanosta-8,24-dien-26-oic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > (22s,24e)-22-acetoxyl-3alpha-hydroxy-7-oxolanosta-8,24-dien-26-oic acid

Preferred term

(22s,24e)-22-acetoxyl-3alpha-hydroxy-7-oxolanosta-8,24-dien-26-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C32H48O6

inchi

  • InChI=1S/C32H48O6/c1-18(28(36)37)9-10-24(38-20(3)33)19(2)21-11-16-32(8)27-22(12-15-31(21,32)7)30(6)14-13-26(35)29(4,5)25(30)17-23(27)34/h9,19,21,24-26,35H,10-17H2,1-8H3,(H,36,37)/b18-9+/t19-,21+,24-,25-,26+,30+,31+,32-/m0/s1

inchikey

  • YENKFKJTSHOLIL-IWRNXBKVSA-N

mass

  • 528.730

monoisotopicmass

  • 528.34509

smiles

  • O=C1C2=C([C@]3(CC[C@H](C([C@@H]3C1)(C)C)O)C)CC[C@]4([C@]2(CC[C@@H]4[C@@H]([C@@H](OC(=O)C)C/C=C(/C(=O)O)/C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (E,5S,6S)-5-acetyloxy-6-[(3R,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207380

Download this concept:

RDF/XML TURTLE JSON-LD