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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 > 3-o-acetyl-16alpha-hydroxydehydrotrametenolic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > 3-o-acetyl-16alpha-hydroxydehydrotrametenolic acid

Preferred term

3-o-acetyl-16alpha-hydroxydehydrotrametenolic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C32H48O5

inchi

  • InChI=1S/C32H48O5/c1-19(2)10-9-11-21(28(35)36)27-24(34)18-32(8)23-12-13-25-29(4,5)26(37-20(3)33)15-16-30(25,6)22(23)14-17-31(27,32)7/h10,12,14,21,24-27,34H,9,11,13,15-18H2,1-8H3,(H,35,36)/t21?,24-,25+,26+,27+,30-,31-,32+/m1/s1

inchikey

  • DLBLMTCYISHWGP-ZGWIZTTPSA-N

mass

  • 512.731

monoisotopicmass

  • 512.35017

smiles

  • O=C(O)C([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H](C([C@@H](OC(=O)C)CC4)(C)C)CC3)C)=CC2)(C)C[C@H]1O)C)CCC=C(C)C

subset

  • 2_STAR

synonym EXACT

  • 2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201063

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