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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 > brabetaicicene m
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > brabetaicicene m

Preferred term

brabetaicicene m  

Type

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

Broader concept

charge

  • 0

formula

  • C21H32O6

inchi

  • InChI=1S/C21H32O6/c1-11(2)17-14-8-16(22)12(3)13-6-7-20(25,10-27-5)15(13)9-21(26,18(17)23)19(14,4)24/h9,11-13,16,22,24-26H,6-8,10H2,1-5H3/t12-,13+,16+,19-,20+,21-/m1/s1

inchikey

  • SCXDJHIKHQFLRG-YTGIDCIRSA-N

mass

  • 380.481

monoisotopicmass

  • 380.21989

smiles

  • O=C1C(=C2C[C@H](O)[C@H](C)[C@H]3C(=C[C@]1(O)[C@@]2(O)C)[C@](O)(CC3)COC)C(C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,4R,7S,8R,9S,14R)-1,4,9,14-tetrahydroxy-4-(methoxymethyl)-8,14-dimethyl-12-propan-2-yltricyclo[9.2.1.03,7]tetradeca-2,11-dien-13-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219360

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