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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-hydroxy-1,11-dioxo-ergosta-8,24(28)-diene-4alpha-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta-hydroxy-1,11-dioxo-ergosta-8,24(28)-diene-4alpha-carboxylic acid
... > 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-hydroxy-1,11-dioxo-ergosta-8,24(28)-diene-4alpha-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta-hydroxy-1,11-dioxo-ergosta-8,24(28)-diene-4alpha-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta-hydroxy-1,11-dioxo-ergosta-8,24(28)-diene-4alpha-carboxylic acid

Preferred term

3beta-hydroxy-1,11-dioxo-ergosta-8,24(28)-diene-4alpha-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C29H42O5

inchi

  • InChI=1S/C29H42O5/c1-15(2)16(3)7-8-17(4)19-11-12-20-18-9-10-21-25(27(33)34)22(30)13-24(32)29(21,6)26(18)23(31)14-28(19,20)5/h15,17,19-22,25,30H,3,7-14H2,1-2,4-6H3,(H,33,34)/t17-,19-,20+,21+,22+,25+,28-,29-/m1/s1

inchikey

  • MCQNBADNXHETRN-IIDSXYMRSA-N

mass

  • 470.650

monoisotopicmass

  • 470.30322

smiles

  • O=C1C2=C([C@@H]3CC[C@@H]([C@]3(C1)C)[C@@H](CCC(=C)C(C)C)C)CC[C@@H]4[C@@]2(C(=O)C[C@H](O)[C@H]4C(=O)O)C

subset

  • 2_STAR

synonym EXACT

  • (3S,4S,5S,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,11-dioxo-3,4,5,6,7,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthrene-4-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201764

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