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Concept information

organooxygen compound > ester > steroid ester > methyl spongoate

Preferred term

methyl spongoate  

Type

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

charge

  • 0

formula

  • C28H44O3

has_parent_hydride

inchi

  • InChI=1S/C28H44O3/c1-18(2)7-6-8-22(26(30)31-5)24-12-11-23-21-10-9-19-17-20(29)13-15-27(19,3)25(21)14-16-28(23,24)4/h13,15,18-19,21-25H,6-12,14,16-17H2,1-5H3/t19-,21-,22+,23-,24+,25-,27-,28-/m0/s1

inchikey

  • LTTLIRHGLXHJJP-CNMDJWEVSA-N

mass

  • 428.64720

monoisotopicmass

  • 428.32905

smiles

  • [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@H](CCCC(C)C)C(=O)OC)[C@@]4(C)CC[C@]3([H])[C@@]1(C)C=CC(=O)C2

subset

  • 3_STAR

synonym EXACT

  • methyl (5alpha)-3-oxocholest-1-en-21-oate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68388

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