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-acetoxy-7alpha,15alpha-dihydroxy-3-oxoanosta-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-acetoxy-7alpha,15alpha-dihydroxy-3-oxoanosta-8,24-dien-26-oic acid

Preferred term

(22s,24e)-22-acetoxy-7alpha,15alpha-dihydroxy-3-oxoanosta-8,24-dien-26-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C32H48O7

inchi

  • InChI=1S/C32H48O7/c1-17(28(37)38)9-10-23(39-19(3)33)18(2)21-15-26(36)32(8)27-20(11-14-31(21,32)7)30(6)13-12-25(35)29(4,5)24(30)16-22(27)34/h9,18,21-24,26,34,36H,10-16H2,1-8H3,(H,37,38)/b17-9+/t18-,21+,22+,23-,24-,26-,30+,31+,32-/m0/s1

inchikey

  • QFZCKICULPSVST-LIILPMIWSA-N

mass

  • 544.729

monoisotopicmass

  • 544.34000

smiles

  • O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@@H](OC(=O)C)C/C=C(/C(=O)O)/C)C)C[C@@H]4O)(C)CC3)C)[C@@H](C2)O)(C)CC1)(C)C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207301

Download this concept:

RDF/XML TURTLE JSON-LD