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Chemistry, part 2

Content language

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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 > isoprenoid > terpenoid > triterpenoid > 4,4,14alpha-trimethyl-24-oxo-5alpha-chol-8-en-12-oic acid dimethylacetal
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > 4,4,14alpha-trimethyl-24-oxo-5alpha-chol-8-en-12-oic acid dimethylacetal

Preferred term

4,4,14alpha-trimethyl-24-oxo-5alpha-chol-8-en-12-oic acid dimethylacetal  

Type

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

Broader concept

charge

  • 0

formula

  • C30H50O5

inchi

  • InChI=1S/C30H50O5/c1-27(2)23-12-11-22-21(28(23,3)16-15-24(27)31)14-18-29(4)20(13-17-30(22,29)5)19(26(32)33)9-8-10-25(34-6)35-7/h19-20,23-25,31H,8-18H2,1-7H3,(H,32,33)/t19-,20-,23+,24+,28-,29-,30+/m1/s1

inchikey

  • JTJGKHHOGBSIFS-AKQGLDKGSA-N

mass

  • 490.725

monoisotopicmass

  • 490.36582

smiles

  • O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)CC2)(C)CC1)C)CCCC(OC)OC

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6,6-dimethoxyhexanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207578

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