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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > fatty acid ester > brialalepolide c
organooxygen compound > carbonyl compound > carboxylic ester > fatty acid ester > brialalepolide c
... > 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 > fatty acid ester > brialalepolide c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > brialalepolide c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid derivative > fatty acid ester > brialalepolide c

Preferred term

brialalepolide c  

Type

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

Broader concept

charge

  • 0

formula

  • C32H46O11

has_role

inchi

  • InChI=1S/C32H46O11/c1-8-9-10-11-12-13-25(36)41-21-17-22(35)29(5)15-14-23(39-19(3)33)30(6,38)26(29)27(40-20(4)34)32-24(16-18(21)2)42-28(37)31(32,7)43-32/h14-16,21-24,26-27,35,38H,8-13,17H2,1-7H3/b18-16-/t21-,22+,23-,24+,26-,27+,29-,30-,31+,32+/m1/s1

inchikey

  • CEVYVRCWJDJLEW-LXIKAAAESA-N

mass

  • 606.70100

monoisotopicmass

  • 606.30401

smiles

  • [H][C@@]12OC(=O)[C@]3(C)O[C@]13[C@@H](OC(C)=O)[C@@]1([H])[C@](C)(O)[C@H](OC(C)=O)C=C[C@]1(C)[C@@H](O)C[C@@H](OC(=O)CCCCCCC)/C(C)=C/2

subset

  • 2_STAR

synonym RELATED

  • (1S,2R,4aS,5S,7R,8Z,9aS,11aR,12aS,13S,13aS)-2,13-Diacetoxy-1,5-dihydroxy-1,4a,8,11a-tetramethyl-11-oxo-2,4a,5,6,7,9a,11,11a,13,13a-decahydro-1H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-7-yl octanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67278

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