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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > benzoate ester > euphorbia diterpenoid 1
organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > euphorbia diterpenoid 1
organooxygen compound > ester > carboxylic ester > acetate ester > euphorbia diterpenoid 1
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > euphorbia diterpenoid 1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > diterpenoid > tetracyclic diterpenoid > euphorbia diterpenoid 1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > tetracyclic diterpenoid > euphorbia diterpenoid 1

Preferred term

euphorbia diterpenoid 1  

Type

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

Broader concept

charge

  • 0

formula

  • C35H44O11

has_role

inchi

  • InChI=1S/C35H44O11/c1-8-12-26(38)44-28-20(4)17-34(46-22(6)37)27(28)30(45-31(39)23-13-10-9-11-14-23)33-18-42-35(34,41)32(7,40)29(33)24(19(2)3)15-16-25(33)43-21(5)36/h9-11,13-16,20,24-25,27-30,40-41H,2,8,12,17-18H2,1,3-7H3/t20-,24+,25+,27+,28-,29-,30+,32-,33+,34+,35+/m0/s1

inchikey

  • PGAJUQOMDBGDPH-BYYJYFEHSA-N

mass

  • 640.71730

monoisotopicmass

  • 640.28836

smiles

  • [H][C@]12[C@@H](OC(=O)CCC)[C@@H](C)C[C@]1(OC(C)=O)[C@]1(O)OC[C@]3([C@H](OC(C)=O)C=C[C@H](C(C)=C)[C@@]3([H])[C@]1(C)O)[C@@H]2OC(=O)c1ccccc1

subset

  • 3_STAR

synonym EXACT

  • (2S,3S,3aR,4R,4aR,5R,8S,8aR,9S,10R,10aR)-5,10a-bis(acetyloxy)-3-(butanoyloxy)-9,10-dihydroxy-2,9-dimethyl-8-(prop-1-en-2-yl)-2,3,3a,4,5,8,8a,9,10,10a-decahydro-1H-10,4a-(epoxymethano)benzo[f]azulen-4-yl benzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:65883

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