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 > lipid > steroid > ergostanoid > 3beta,5alpha,6beta,8beta,14alpha-pentahydroxy-(22e,24r)-ergost-22-en-7-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta,5alpha,6beta,8beta,14alpha-pentahydroxy-(22e,24r)-ergost-22-en-7-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta,5alpha,6beta,8beta,14alpha-pentahydroxy-(22e,24r)-ergost-22-en-7-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta,5alpha,6beta,8beta,14alpha-pentahydroxy-(22e,24r)-ergost-22-en-7-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta,5alpha,6beta,8beta,14alpha-pentahydroxy-(22e,24r)-ergost-22-en-7-one

Preferred term

3beta,5alpha,6beta,8beta,14alpha-pentahydroxy-(22e,24r)-ergost-22-en-7-one  

Type

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

Broader concept

charge

  • 0

formula

  • C28H46O6

inchi

  • InChI=1S/C28H46O6/c1-16(2)17(3)7-8-18(4)20-10-14-27(33)24(20,5)13-11-21-25(6)12-9-19(29)15-26(25,32)22(30)23(31)28(21,27)34/h7-8,16-22,29-30,32-34H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21?,22+,24+,25+,26-,27-,28+/m0/s1

inchikey

  • XVBWIRYDRDXAIY-SKHDNZKESA-N

mass

  • 478.670

monoisotopicmass

  • 478.32944

smiles

  • O=C1[C@@]2(O)[C@@]3(O)[C@@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC3)(CCC2[C@]4(CC[C@@H](C[C@@]4([C@@H]1O)O)O)C)C

subset

  • 2_STAR

synonym EXACT

  • (3S,5R,6S,8S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,5,6,8,14-pentahydroxy-10,13-dimethyl-2,3,4,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210286

Download this concept:

RDF/XML TURTLE JSON-LD