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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > methyl ester > andrastin c
organooxygen compound > carbonyl compound > carboxylic ester > methyl ester > andrastin c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > enol > andrastin c
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > enol > andrastin c
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > enol > andrastin c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > enol > andrastin c
organooxygen compound > ester > carboxylic ester > acetate ester > andrastin c
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > andrastin c

Preferred term

andrastin c  

Type

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

Broader concept

charge

  • 0

formula

  • C28H40O6

has_role

inchi

  • InChI=1S/C28H40O6/c1-15-14-19-25(6)12-11-20(34-17(3)29)24(4,5)18(25)10-13-26(19,7)28(23(32)33-9)22(31)16(2)21(30)27(15,28)8/h14,18-20,31H,10-13H2,1-9H3/t18-,19+,20+,25-,26+,27+,28-/m1/s1

inchikey

  • COPIXBGZYYCWRA-QUQNHZJXSA-N

is_conjugate_acid_of

mass

  • 472.615

monoisotopicmass

  • 472.28249

smiles

  • C1C[C@@H](C([C@@]2([C@@]1([C@]3([C@](CC2)([C@]4([C@@](C(=C3)C)(C(C(=C4O)C)=O)C)C(OC)=O)C)[H])C)[H])(C)C)OC(C)=O

subset

  • 3_STAR

synonym EXACT

  • methyl 3beta-(acetyloxy)-15-hydroxy-4,4,8alpha,12,16-pentamethyl-17-oxo-5beta,9beta,10alpha,13alpha-androsta-11,15-diene-14-carboxylate

synonym RELATED

  • methyl (3beta,5beta,8alpha,9beta,10alpha,13alpha)-3-(acetyloxy)-15-hydroxy-4,4,8,12,16-pentamethyl-17-oxoandrosta-11,15-diene-14-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:142867

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