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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 > alcohol > tertiary alcohol > botryotin b
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > botryotin b

Preferred term

botryotin b  

Type

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

Broader concept

charge

  • 0

formula

  • C20H32O5

inchi

  • InChI=1S/C20H32O5/c1-17-5-4-15(23)18(2,10-21)13(17)3-6-19-7-8-20(25,11-22)12(16(19)24)9-14(17)19/h9,12-13,15-16,21-25H,3-8,10-11H2,1-2H3/t12-,13+,15+,16+,17-,18-,19+,20-/m0/s1

inchikey

  • WMPSVBGPWPMDOE-JIJHKKPBSA-N

mass

  • 352.471

monoisotopicmass

  • 352.22497

smiles

  • O[C@]1([C@H]2C=C3[C@@]4([C@H]([C@@]([C@H](O)CC4)(CO)C)CC[C@@]3([C@@H]2O)CC1)C)CO

subset

  • 2_STAR

synonym EXACT

  • (1R,4R,5R,6R,9S,12S,13R,16R)-5,13-bis(hydroxymethyl)-5,9-dimethyltetracyclo[10.3.1.01,10.04,9]hexadec-10-ene-6,13,16-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217007

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