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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 > irpeksolactin e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > irpeksolactin e

Preferred term

irpeksolactin e  

Type

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

Broader concept

charge

  • 0

formula

  • C30H46O5

inchi

  • InChI=1S/C30H46O5/c1-17(2)9-8-10-18(26(34)35)23-24(32)25(33)30(7)20-11-12-21-27(3,4)22(31)14-15-28(21,5)19(20)13-16-29(23,30)6/h9,11,13,18,21-25,31-33H,8,10,12,14-16H2,1-7H3,(H,34,35)/t18-,21+,22+,23+,24+,25+,28-,29-,30-/m1/s1

inchikey

  • GHDTVZBJGVDJSG-CQLUYZPHSA-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@H]([C@H]1O)O)C)CCC=C(C)C

subset

  • 2_STAR

synonym EXACT

  • (2R)-6-methyl-2-[(3S,5R,10S,13R,14R,15R,16S,17R)-3,15,16-trihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227575

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