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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 > organic hydroxy compound > erythro-11alpha-hydroxyneocyclocitrinol
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > erythro-11alpha-hydroxyneocyclocitrinol

Preferred term

erythro-11alpha-hydroxyneocyclocitrinol  

Type

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

Broader concept

charge

  • 0

formula

  • C25H36O5

inchi

  • InChI=1S/C25H36O5/c1-13(8-21(28)14(2)26)19-6-7-20-18-11-22(29)16-9-15(4-5-17(27)10-16)24(18)23(30)12-25(19,20)3/h4,8,11,14,16-17,19-21,23-24,26-28,30H,5-7,9-10,12H2,1-3H3/b13-8+/t14?,16-,17-,19+,20-,21?,23+,24+,25+/m0/s1

inchikey

  • UCXIVCGQGYMRDA-CTDJYQMMSA-N

mass

  • 416.558

monoisotopicmass

  • 416.25627

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (2R,3R,5R,6R,9R,13S,15S)-6-[(E)-4,5-dihydroxyhex-2-en-2-yl]-3,15-dihydroxy-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200347

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