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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 > sesterterpenoid > isopenicin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesterterpenoid > isopenicin b

Preferred term

isopenicin b  

Type

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

Broader concept

charge

  • 0

formula

  • C44H58O11

inchi

  • InChI=1S/C44H58O11/c1-13-14-15-16-19-40(8)33(47)32(34(48)52-11)28(55-40)22-25(2)41(9)35(49)42(10)26(3)23-30-39(7,44(42,36(41)50)37(51)53-12)20-17-29-38(5,6)31(54-27(4)46)18-21-43(29,30)24-45/h14-16,19,23-25,29-31H,13,17-18,20-22H2,1-12H3/b15-14+,19-16+/t25-,29+,30+,31-,39-,40+,41+,42-,43-,44+/m0/s1

inchikey

  • IPRUCLFQELTKPQ-LFFMKDHVSA-N

mass

  • 762.937

monoisotopicmass

  • 762.39791

smiles

  • O=C1C(=C(C[C@@H]([C@]2(C(=O)[C@@]3(C(=O)OC)[C@@]4([C@H]([C@@]5(C=O)[C@@H](C([C@@H](OC(=O)C)CC5)(C)C)CC4)C=C([C@]3(C2=O)C)C)C)C)C)O[C@@]1(/C=C/C=C/CC)C)C(=O)OC

subset

  • 2_STAR

synonym EXACT

  • methyl (5R)-2-[(2S)-2-[(3S,5R,8S,9R,10S,13R,14R,16R)-3-acetyloxy-10-ormyl-14-methoxycarbonyl-4,4,8,12,13,16-hexamethyl-15,17-dioxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthren-16-yl]propyl]-5-[(1E,3E)-hexa-1,3-dienyl]-5-methyl-4-oxouran-3-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209353

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