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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > lactone > kadhenrischinin b
organooxygen compound > carbonyl compound > carboxylic ester > lactone > kadhenrischinin b
... > 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 b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > kadhenrischinin b
organooxygen compound > ester > lactone > kadhenrischinin b
organooxygen compound > oxacycle > lactone > kadhenrischinin b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > kadhenrischinin b
... > 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 b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > kadhenrischinin b

Preferred term

kadhenrischinin b  

Type

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

Broader concept

charge

  • 0

formula

  • C30H40O6

inchi

  • InChI=1S/C30H40O6/c1-26(2)20-7-8-21-18(14-17(20)6-9-24(31)36-26)10-12-28(4)22(11-13-27(21,28)3)19-15-30(34)16-23(19)35-25(32)29(30,5)33/h6,9,14,19-20,22-23,33-34H,7-8,10-13,15-16H2,1-5H3/t19-,20+,22?,23+,27-,28+,29-,30-/m0/s1

inchikey

  • KRPNEGCSSKRXPW-OGTRLSHWSA-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@@](C5)(O)C6)(O)C)CC4)(C)CCC3C=C2C=C1)C)(C)C

subset

  • 2_STAR

synonym EXACT

  • (9R,13R,17R)-16-[(1R,4R,5S,7S)-4,5-dihydroxy-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:227498

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