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Chemistry, part 2

Content language

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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 > hebelomic acid f
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > hebelomic acid f

Preferred term

hebelomic acid f  

Type

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

Broader concept

charge

  • 0

formula

  • C40H62O11

inchi

  • InChI=1S/C40H62O11/c1-22(41)48-33-28(50-32(45)21-37(7,47)20-31(43)44)19-38(8)26-16-18-39(9)25(15-17-40(39,10)27(26)12-13-29(38)35(33,3)4)24-11-14-30(36(5,6)46)51-34(24)49-23(2)42/h24-25,28-30,33-34,46-47H,11-21H2,1-10H3,(H,43,44)/t24?,25-,28-,29?,30-,33+,34-,37?,38-,39-,40+/m1/s1

inchikey

  • JBMORHZTYFJYCP-NWSLHHDSSA-N

mass

  • 718.925

monoisotopicmass

  • 718.42921

smiles

  • O=C(O[C@H]1[C@H](OC(=O)C)C(C2CCC3=C([C@]2(C1)C)CC[C@]4([C@]3(CC[C@@H]4C5[C@@H](O[C@@H](C(O)(C)C)CC5)OC(=O)C)C)C)(C)C)CC(O)(CC(=O)O)C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202631

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