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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 > certonardosterol a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > certonardosterol a
... > 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 > certonardosterol a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > certonardosterol a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > certonardosterol a

Preferred term

certonardosterol a  

Type

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

Broader concept

charge

  • 0

formula

  • C28H48O6

inchi

  • InChI=1S/C28H48O6/c1-15(17(3)14-29)6-7-16(2)18-12-20(31)25-26(18,4)11-9-22-27(5)10-8-19(30)24(33)23(27)21(32)13-28(22,25)34/h16-25,29-34H,1,6-14H2,2-5H3/t16-,17-,18-,19+,20-,21+,22-,23+,24+,25-,26-,27-,28+/m1/s1

inchikey

  • ASXJPYBLHOPGBL-SEIPZOKNSA-N

mass

  • 480.686

monoisotopicmass

  • 480.34509

smiles

  • O[C@]12[C@H]3[C@@]([C@H](C[C@H]3O)[C@@H](CCC([C@@H](CO)C)=C)C)(CC[C@@H]1[C@@]4([C@@H]([C@@H](O)C2)[C@@H](O)[C@@H](O)CC4)C)C

subset

  • 2_STAR

synonym EXACT

  • (3S,4R,5S,6S,8S,9R,10S,13R,14S,15R,17R)-17-[(2R,6S)-7-hydroxy-6-methyl-5-methylideneheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,6,8,15-pentol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:229809

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