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

Preferred term

botryotin d  

Type

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

Broader concept

charge

  • 0

formula

  • C20H32O4

inchi

  • InChI=1S/C20H32O4/c1-17-6-5-15(22)18(2,11-21)13(17)4-7-20-9-8-19(3,24)12(16(20)23)10-14(17)20/h10,12-13,15-16,21-24H,4-9,11H2,1-3H3/t12-,13+,15+,16+,17-,18-,19+,20+/m0/s1

inchikey

  • TZQBGPHSFRWTRR-WURLERGCSA-N

mass

  • 336.472

monoisotopicmass

  • 336.23006

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)C

subset

  • 2_STAR

synonym EXACT

  • (1R,4R,5R,6R,9S,12S,13R,16R)-5-(hydroxymethyl)-5,9,13-trimethyltetracyclo[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:217020

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