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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 > betaestacin vc
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > betaestacin vc

Preferred term

betaestacin vc  

Type

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

Broader concept

charge

  • 0

formula

  • C25H38O4

inchi

  • InChI=1S/C25H38O4/c1-15-6-8-20-19(17(3)23(27)28)10-12-24(20,4)14-22(26)16(2)7-9-21-18(15)11-13-25(21,5)29/h6,9,17-20,22,26,29H,2,7-8,10-14H2,1,3-5H3,(H,27,28)/b15-6-,21-9+/t17-,18-,19-,20+,22+,24-,25+/m0/s1

inchikey

  • HCAOJXUQKAQJMU-VGHIFKNYSA-N

mass

  • 402.575

monoisotopicmass

  • 402.27701

smiles

  • O=C(O)[C@H]([C@H]1[C@@H]2[C@@](C[C@@H](O)C(=C)CC=C3[C@H](C(=CC2)C)CC[C@]3(O)C)(C)CC1)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[(1S,2Z,5R,6R,9S,11R,14Z,16R)-11,16-dihydroxy-2,9,16-trimethyl-12-methylidene-6-tricyclo[13.3.0.05,9]octadeca-2,14-dienyl]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217850

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