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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 > 3-oxo-24r-hydroxy-poriferast-1,4,6,26-tetraen-18-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > 3-oxo-24r-hydroxy-poriferast-1,4,6,26-tetraen-18-oic 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 > 3-oxo-24r-hydroxy-poriferast-1,4,6,26-tetraen-18-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > 3-oxo-24r-hydroxy-poriferast-1,4,6,26-tetraen-18-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > 3-oxo-24r-hydroxy-poriferast-1,4,6,26-tetraen-18-oic acid

Preferred term

3-oxo-24r-hydroxy-poriferast-1,4,6,26-tetraen-18-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C29H40O4

has_parent_hydride

inchi

  • InChI=1S/C29H40O4/c1-6-28(33,18(2)3)15-11-19(4)23-9-10-25-22-8-7-20-17-21(30)12-14-27(20,5)24(22)13-16-29(23,25)26(31)32/h7-8,12,14,17,19,22-25,33H,2,6,9-11,13,15-16H2,1,3-5H3,(H,31,32)/t19-,22-,23-,24+,25+,27+,28-,29+/m1/s1

inchikey

  • RZICIXRISYIONZ-QEYQUZSWSA-N

mass

  • 452.635

monoisotopicmass

  • 452.29266

smiles

  • OC(=O)[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(C=C3)=CC(=O)C=C4)C)[H])[H])(CC[C@@]2([C@@H](CC[C@](O)(CC)C(C)=C)C)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • (8R,9S,10R,13S,14S,17R)-17-[(2R,5R)-5-ethyl-5-hydroxy-6-methylhept-6-en-2-yl]-10-methyl-3-oxo-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-13-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:173030

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