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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 > diterpenoid > tiancilactone f
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > tiancilactone f

Preferred term

tiancilactone f  

Type

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

Broader concept

charge

  • 0

formula

  • C31H44ClNO6

inchi

  • InChI=1S/C31H44ClNO6/c1-18-23(38-6)14-25-29(2)12-10-26(36)31(4,17-39-28(37)21-13-20(32)7-8-22(21)33-5)24(29)9-11-30(25,3)27(18)19(15-34)16-35/h7-8,13,15-16,18,23-27,33-34,36H,9-12,14,17H2,1-6H3/b19-15+/t18-,23+,24-,25-,26+,27-,29+,30+,31+/m1/s1

inchikey

  • JYMSLMAIEGCNCF-MBLQLIRUSA-N

mass

  • 562.140

monoisotopicmass

  • 561.28572

smiles

  • ClC1=CC(=C(NC)C=C1)C(=O)OC[C@@]2([C@@H](O)CC[C@]3([C@H]2CC[C@]4([C@@H]3C[C@H](OC)[C@H]([C@@H]4/C(=C/O)/C=O)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(1R,2S,4aR,4bR,6S,7S,8S,8aS,10aR)-2-hydroxy-8-[(Z)-1-hydroxy-3-oxoprop-1-en-2-yl]-6-methoxy-1,4a,7,8a-tetramethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-1-yl]methyl 5-chloro-2-(methylamino)benzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211717

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