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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > lactone > kadhenrischinin a
organooxygen compound > carbonyl compound > carboxylic ester > lactone > kadhenrischinin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > kadhenrischinin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > kadhenrischinin a
organooxygen compound > ester > lactone > kadhenrischinin a
organooxygen compound > oxacycle > lactone > kadhenrischinin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > kadhenrischinin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > kadhenrischinin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > kadhenrischinin a

Preferred term

kadhenrischinin a  

Type

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

Broader concept

charge

  • 0

formula

  • C30H40O6

inchi

  • InChI=1S/C30H40O6/c1-27(2)20-7-8-21-17(12-16(20)6-9-25(32)36-27)10-11-28(3)22(15-24(31)29(21,28)4)19-13-18-14-23(19)35-26(33)30(18,5)34/h6,9,12,18-20,22-24,31,34H,7-8,10-11,13-15H2,1-5H3/t18-,19+,20-,22?,23-,24+,28-,29-,30-/m1/s1

inchikey

  • ZEAHJLBPUIFXLS-LFQWTJFBSA-N

mass

  • 496.644

monoisotopicmass

  • 496.28249

smiles

  • O=C1OC([C@@H]2CCC=3[C@]4([C@](C([C@H]5[C@@H]6OC(=O)[C@@]([C@H](C5)C6)(O)C)C[C@@H]4O)(C)CCC3C=C2C=C1)C)(C)C

subset

  • 2_STAR

synonym EXACT

  • (9R,13R,14S,17R)-14-hydroxy-16-[(1R,4R,5R,7S)-4-hydroxy-4-methyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-8,8,13,17-tetramethyl-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-6-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227493

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