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 > diterpenoid > phellibarin d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > phellibarin d

Preferred term

phellibarin d  

Type

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

Broader concept

charge

  • 0

formula

  • C31H50O4

inchi

  • InChI=1S/C31H50O4/c1-18(2)19(3)16-23(32)20(4)21-10-12-30(9)26(34)22-17-24-27(5,6)25(33)11-13-29(24,8)31(22,35)15-14-28(21,30)7/h18,20-24,32,35H,3,10-17H2,1-2,4-9H3/t20-,21+,22+,23+,24-,28+,29-,30-,31+/m0/s1

inchikey

  • TYWVGHJFBRRSAC-BOGMEMAHSA-N

mass

  • 486.737

monoisotopicmass

  • 486.37091

smiles

  • O=C1[C@]2([C@@]([C@@H]([C@@H]([C@H](O)CC(=C)C(C)C)C)CC2)(CC[C@]3([C@@H]1C[C@H]4C(C(=O)CC[C@]34C)(C)C)O)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,3R,6R,7R,10R,11S,16R)-10-hydroxy-6-[(2S,3R)-3-hydroxy-6-methyl-5-methylideneheptan-2-yl]-3,7,11,15,15-pentamethyltetracyclo[8.7.0.03,7.011,16]heptadecane-2,14-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224754

Download this concept:

RDF/XML TURTLE JSON-LD