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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 > 3alpha,16alpha-dihydroxy-7-oxo-24-methyllanosta-8,24(31)-dien-21-oic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > 3alpha,16alpha-dihydroxy-7-oxo-24-methyllanosta-8,24(31)-dien-21-oic acid

Preferred term

3alpha,16alpha-dihydroxy-7-oxo-24-methyllanosta-8,24(31)-dien-21-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C31H48O5

inchi

  • InChI=1S/C31H48O5/c1-17(2)18(3)9-10-19(27(35)36)25-22(33)16-31(8)26-20(11-14-30(25,31)7)29(6)13-12-24(34)28(4,5)23(29)15-21(26)32/h17,19,22-25,33-34H,3,9-16H2,1-2,4-8H3,(H,35,36)/t19-,22-,23+,24-,25+,29-,30-,31+/m1/s1

inchikey

  • KOLFIFZLJIHNHF-NEAGZGJDSA-N

mass

  • 500.720

monoisotopicmass

  • 500.35017

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-[(3R,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206065

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