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Chemistry, part 2

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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,11-dihydroxy-24-methyl-9,11-secocholest-5-en-9,23-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta,11-dihydroxy-24-methyl-9,11-secocholest-5-en-9,23-dione
... > 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,11-dihydroxy-24-methyl-9,11-secocholest-5-en-9,23-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta,11-dihydroxy-24-methyl-9,11-secocholest-5-en-9,23-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta,11-dihydroxy-24-methyl-9,11-secocholest-5-en-9,23-dione

Preferred term

3beta,11-dihydroxy-24-methyl-9,11-secocholest-5-en-9,23-dione  

Type

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

Broader concept

charge

  • 0

formula

  • C28H46O4

inchi

  • InChI=1S/C28H46O4/c1-17(2)19(4)25(31)15-18(3)23-9-10-24(28(23,6)13-14-29)22-8-7-20-16-21(30)11-12-27(20,5)26(22)32/h7,17-19,21-24,29-30H,8-16H2,1-6H3/t18-,19?,21+,22+,23-,24+,27+,28-/m1/s1

inchikey

  • DTXLVIMKIUDVAU-IGGZIGBYSA-N

mass

  • 446.672

monoisotopicmass

  • 446.33961

smiles

  • O=C1[C@@]2(C(=CC[C@H]1[C@H]3[C@@]([C@@H]([C@@H](CC(=O)C(C(C)C)C)C)CC3)(CCO)C)C[C@@H](O)CC2)C

subset

  • 2_STAR

synonym EXACT

  • (2S,6S,8aS)-2-[(1S,2R,3R)-3-[(2R)-5,6-dimethyl-4-oxoheptan-2-yl]-2-(2-hydroxyethyl)-2-methylcyclopentyl]-6-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209551

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