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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 > taxane diterpenoid > docetaxel hydroxy tert-butylcarbamate
... > 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 > docetaxel hydroxy tert-butylcarbamate

Preferred term

docetaxel hydroxy tert-butylcarbamate  

Type

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

Broader concept

charge

  • 0

formula

  • C43H53NO15

inchi

  • InChI=1S/C43H53NO15/c1-22-26(56-37(52)32(49)30(24-14-10-8-11-15-24)44-38(53)59-39(3,4)20-45)19-43(54)35(57-36(51)25-16-12-9-13-17-25)33-41(7,34(50)31(48)29(22)40(43,5)6)27(47)18-28-42(33,21-55-28)58-23(2)46/h8-17,26-28,30-33,35,45,47-49,54H,18-21H2,1-7H3,(H,44,53)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1

inchikey

  • HABZZLXXUPZIJD-VCVYQWHSSA-N

mass

  • 823.880

monoisotopicmass

  • 823.342

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](NC(=O)OC(CO)(C)C)C6=CC=CC=C6)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:143483

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