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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 > neoverrucosan-5beta,9beta,18beta-triol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > neoverrucosan-5beta,9beta,18beta-triol

Preferred term

neoverrucosan-5beta,9beta,18beta-triol  

Type

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

Broader concept

charge

  • 0

formula

  • C20H34O3

inchi

  • InChI=1S/C20H34O3/c1-11(2)12-5-6-19(4)14(22)8-18(3)9-15(23)20(10-21)7-13(20)17(18)16(12)19/h11-17,21-23H,5-10H2,1-4H3/t12-,13-,14-,15+,16+,17+,18-,19+,20+/m0/s1

inchikey

  • JAYDSYVXWHKZDH-MUOQQGGZSA-N

mass

  • 322.489

monoisotopicmass

  • 322.25079

smiles

  • O[C@@H]1[C@@]2([C@@H]([C@H]3[C@H]4[C@@](CO)([C@@H](C[C@@]3(C1)C)O)C4)[C@H](C(C)C)CC2)C

subset

  • 2_STAR

synonym EXACT

  • (1R,2R,3S,6S,7S,9S,11R,12S,14S)-12-(hydroxymethyl)-6,9-dimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecane-7,11-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199116

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