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 > piptolinic acid a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > piptolinic acid a

Preferred term

piptolinic acid a  

Type

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

Broader concept

charge

  • 0

formula

  • C39H60O8

inchi

  • InChI=1S/C39H60O8/c1-23(25(3)34(42)43)12-13-24(2)26-16-19-38(8)27-14-15-29-35(4,5)30(47-33(41)22-36(6,44)21-32(40)46-11)17-18-37(29,7)28(27)20-31(45-10)39(26,38)9/h14,20,24-26,29-31,44H,1,12-13,15-19,21-22H2,2-11H3,(H,42,43)/t24-,25+,26-,29+,30-,31+,36+,37-,38+,39+/m1/s1

inchikey

  • HDEYPWNVBOCOQU-JJTVPUFZSA-N

mass

  • 656.901

monoisotopicmass

  • 656.42882

smiles

  • O=C(O)[C@H](C(=C)CC[C@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H](C([C@H](OC(=O)C[C@@](O)(CC(=O)OC)C)CC4)(C)C)CC3)C)=C[C@@H]2OC)(C)CC1)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (2S,6R)-6-[(3R,5R,10S,12S,13R,14S,17R)-3-[(3S)-3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl]oxy-12-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215122

Download this concept:

RDF/XML TURTLE JSON-LD