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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > methyl (2s,6r)-6-[(4r,5r,10s,13r,14r,15r,17r)-15-hydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > methyl (2s,6r)-6-[(4r,5r,10s,13r,14r,15r,17r)-15-hydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate

Preferred term

methyl (2s,6r)-6-[(4r,5r,10s,13r,14r,15r,17r)-15-hydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate  

Type

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

Broader concept

charge

  • 0

formula

  • C31H44O8

inchi

  • InChI=1S/C31H44O8/c1-16(10-18(33)11-17(2)27(38)39-7)19-12-24(37)31(6)26-20(34)13-22-28(3,9-8-23(36)29(22,4)15-32)25(26)21(35)14-30(19,31)5/h16-17,19,22,24,32,37H,8-15H2,1-7H3/t16-,17+,19-,22-,24-,28+,29+,30-,31+/m1/s1

inchikey

  • SEBUKQPVLOBITO-UTOTWVBOSA-N

mass

  • 544.685

monoisotopicmass

  • 544.30362

smiles

  • O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC([C@]3(CO)C)=O)C)[C@@]4([C@H](O)C[C@@H]([C@]4(C1)C)[C@@H](CC(=O)C[C@@H](C(=O)OC)C)C)C

subset

  • 2_STAR

synonym EXACT

  • methyl (2S,6R)-6-[(4R,5R,10S,13R,14R,15R,17R)-15-hydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215794

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