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 > alisol b acetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > alisol b acetate

Preferred term

alisol b acetate  

Type

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

Broader concept

charge

  • 0

formula

  • C32H50O5

inchi

  • InChI=1S/C32H50O5/c1-18(16-23(36-19(2)33)27-29(5,6)37-27)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(35)28(3,4)24(30)11-15-32(26,31)9/h18,22-24,26-27,34H,10-17H2,1-9H3/t18-,22+,23+,24+,26+,27-,30+,31+,32+/m1/s1

inchikey

  • NLOAQXKIIGTTRE-JSWHPQHOSA-N

mass

  • 514.747

monoisotopicmass

  • 514.36582

smiles

  • O[C@@H]1[C@@]2([C@@]([C@@]3(C(C1)=C(CC3)[C@@H](C[C@H](OC(=O)C)[C@]4(OC4(C)C)[H])C)C)(CC[C@@]5([C@@]2(CCC(=O)C5(C)C)C)[H])C)[H]

subset

  • 2_STAR

synonym EXACT

  • [(1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]butyl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:184020

Download this concept:

RDF/XML TURTLE JSON-LD