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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,26-trihydroxylanosta-7,9(11),24-trien-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,26-trihydroxylanosta-7,9(11),24-trien-21-oic acid

Preferred term

3alpha,16alpha,26-trihydroxylanosta-7,9(11),24-trien-21-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H46O5

inchi

  • InChI=1S/C30H46O5/c1-18(17-31)8-7-9-19(26(34)35)25-22(32)16-30(6)21-10-11-23-27(2,3)24(33)13-14-28(23,4)20(21)12-15-29(25,30)5/h8,10,12,19,22-25,31-33H,7,9,11,13-17H2,1-6H3,(H,34,35)/b18-8+/t19-,22-,23+,24-,25+,28-,29-,30+/m1/s1

inchikey

  • PJJIWWUPWPLBRE-XOSWQPBISA-N

mass

  • 486.693

monoisotopicmass

  • 486.33452

smiles

  • O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H](C([C@H](O)CC4)(C)C)CC3)C)=CC2)(C)C[C@H]1O)C)CC/C=C(/CO)/C

subset

  • 2_STAR

synonym EXACT

  • (E,2R)-2-[(3R,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-hydroxy-6-methylhept-5-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209909

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