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Chemistry, part 2

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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 > taxane diterpenoid > 4-(acetyloxy)-13alpha-/{[(2r,3s)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-2-hydroxy-3-phenylpropanoyl]oxy/}-1,7beta,10beta-trihydroxy-9-oxo-4alpha,5beta-5,20-epoxytax-11-en-2alpha-yl benzoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > taxane diterpenoid > 4-(acetyloxy)-13alpha-/{[(2r,3s)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-2-hydroxy-3-phenylpropanoyl]oxy/}-1,7beta,10beta-trihydroxy-9-oxo-4alpha,5beta-5,20-epoxytax-11-en-2alpha-yl benzoate

Preferred term

4-(acetyloxy)-13alpha-/{[(2r,3s)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-2-hydroxy-3-phenylpropanoyl]oxy/}-1,7beta,10beta-trihydroxy-9-oxo-4alpha,5beta-5,20-epoxytax-11-en-2alpha-yl benzoate  

Type

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

Broader concept

charge

  • 0

formula

  • C43H51NO14

inchi

  • InChI=1S/C43H51NO14/c1-22-26(55-37(51)32(48)30(24-14-10-8-11-15-24)44-20-39(3,4)58-38(44)52)19-43(53)35(56-36(50)25-16-12-9-13-17-25)33-41(7,34(49)31(47)29(22)40(43,5)6)27(46)18-28-42(33,21-54-28)57-23(2)45/h8-17,26-28,30-33,35,46-48,53H,18-21H2,1-7H3/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1

inchikey

  • ZGJIDDLCKSIXRG-VCVYQWHSSA-N

mass

  • 805.865

monoisotopicmass

  • 805.331

smiles

  • O=C1[C@]2([C@@H]([C@@]3(OC(=O)C)[C@H](OC3)C[C@@H]2O)[C@H](OC(=O)C4=CC=CC=C4)[C@]5(O)C[C@@H](C(=C([C@H]1O)C5(C)C)C)OC(=O)[C@H](O)[C@@H](N6C(=O)OC(C6)(C)C)C7=CC=CC=C7)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:143484

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