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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > leucine derivative > 2-[(3s,4ar,7s,8s,8ar)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1h-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]-4-methylpentanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > amino-acid derivative > leucine derivative > 2-[(3s,4ar,7s,8s,8ar)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1h-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]-4-methylpentanoic acid

Preferred term

2-[(3s,4ar,7s,8s,8ar)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1h-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]-4-methylpentanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C29H41NO6

inchi

  • InChI=1S/C29H41NO6/c1-15(2)11-20(26(34)35)30-14-19-17(25(30)33)12-21(31)18-13-29(36-24(18)19)16(3)7-8-22-27(4,5)23(32)9-10-28(22,29)6/h12,15-16,20,22-23,31-32H,7-11,13-14H2,1-6H3,(H,34,35)/t16-,20?,22+,23-,28+,29-/m0/s1

inchikey

  • JDHPPXKJMASBLQ-HTKMKVDHSA-N

mass

  • 499.648

monoisotopicmass

  • 499.29339

smiles

  • O=C1N(C(C(=O)O)CC(C)C)CC2=C1C=C(O)C3=C2O[C@@]4([C@]5([C@@H](C([C@@H](O)CC5)(C)C)CC[C@@H]4C)C)C3

subset

  • 2_STAR

synonym EXACT

  • 2-[(3S,4aR,7S,8S,8aR)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]-4-methylpentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218482

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