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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 > 5alpha,6beta-dihydroxy-24-methylenecholestan-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 5alpha,6beta-dihydroxy-24-methylenecholestan-3-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 > 5alpha,6beta-dihydroxy-24-methylenecholestan-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 5alpha,6beta-dihydroxy-24-methylenecholestan-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > 5alpha,6beta-dihydroxy-24-methylenecholestan-3-one

Preferred term

5alpha,6beta-dihydroxy-24-methylenecholestan-3-one  

Type

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

Broader concept

charge

  • 0

formula

  • C28H46O3

inchi

  • InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h17,19,21-25,30-31H,3,7-16H2,1-2,4-6H3/t19-,21+,22-,23+,24+,25-,26-,27-,28+/m1/s1

inchikey

  • WRDZSRNTPLFBER-HNYNIOICSA-N

mass

  • 430.673

monoisotopicmass

  • 430.34470

smiles

  • O[C@]12[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCC(C(C)C)=C)C)[H])(CC3)C)[H])(C[C@H]1O)[H])[H])(CCC(=O)C2)C

subset

  • 2_STAR

synonym EXACT

  • (5R,6R,8S,9S,10R,13R,14S,17R)-5,6-dihydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:187534

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