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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 > (3s)-5-[[(2r,3r,5r,10s,12s,13r,14s,17r)-2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-[(2r,5r)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > (3s)-5-[[(2r,3r,5r,10s,12s,13r,14s,17r)-2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-[(2r,5r)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

Preferred term

(3s)-5-[[(2r,3r,5r,10s,12s,13r,14s,17r)-2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-[(2r,5r)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C36H60O10

inchi

  • InChI=1S/C36H60O10/c1-31(2)25-11-10-22-23(34(25,6)16-24(38)30(31)46-29(43)18-33(5,45)17-28(41)42)15-27(40)36(8)21(13-14-35(22,36)7)20(19-37)9-12-26(39)32(3,4)44/h20-21,24-27,30,37-40,44-45H,9-19H2,1-8H3,(H,41,42)/t20-,21+,24+,25-,26+,27-,30-,33-,34+,35-,36-/m0/s1

inchikey

  • MMDIZKAAMZRKRJ-KKGPIOPUSA-N

mass

  • 652.866

monoisotopicmass

  • 652.41865

smiles

  • O=C(O[C@@H]1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@H](CO)CC[C@@H](O)C(O)(C)C)CC4)(C)[C@H](C3)O)C)CC2)(C)C[C@H]1O)(C)C)C[C@@](O)(CC(=O)O)C

subset

  • 2_STAR

synonym EXACT

  • (3S)-5-[[(2R,3R,5R,10S,12S,13R,14S,17R)-2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209524

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