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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 > (20s,22s,23e)-22o-acetyl-25-hydroxylanosta-8,23(e)-dien-3-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > (20s,22s,23e)-22o-acetyl-25-hydroxylanosta-8,23(e)-dien-3-one

Preferred term

(20s,22s,23e)-22o-acetyl-25-hydroxylanosta-8,23(e)-dien-3-one  

Type

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

Broader concept

charge

  • 0

formula

  • C32H50O4

inchi

  • InChI=1S/C32H50O4/c1-20(25(36-21(2)33)14-16-28(3,4)35)22-12-18-32(9)24-10-11-26-29(5,6)27(34)15-17-30(26,7)23(24)13-19-31(22,32)8/h14,16,20,22,25-26,35H,10-13,15,17-19H2,1-9H3/b16-14+/t20-,22+,25+,26-,30+,31+,32-/m0/s1

inchikey

  • HIOCTGSCXFLFKE-OPZSKAJMSA-N

mass

  • 498.748

monoisotopicmass

  • 498.37091

smiles

  • O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@H](OC(=O)C)/C=C/C(O)(C)C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C

subset

  • 2_STAR

synonym EXACT

  • [(E,2S,3R)-6-hydroxy-6-methyl-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-4-en-3-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203350

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