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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 > 3,4-secocucurbita-4,24e-diene-3-hydroxy-26-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > 3,4-secocucurbita-4,24e-diene-3-hydroxy-26-carboxylic acid

Preferred term

3,4-secocucurbita-4,24e-diene-3-hydroxy-26-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H50O3

inchi

  • InChI=1S/C30H50O3/c1-20(2)23-13-14-26-28(5,25(23)12-9-19-31)17-18-29(6)24(15-16-30(26,29)7)21(3)10-8-11-22(4)27(32)33/h11,21,24-26,31H,8-10,12-19H2,1-7H3,(H,32,33)/b22-11+/t21-,24-,25-,26-,28+,29-,30+/m1/s1

inchikey

  • CZJIGFJHVBSALM-CWZIPENLSA-N

mass

  • 458.727

monoisotopicmass

  • 458.37600

smiles

  • O=C(O)/C(=C/CC[C@H]([C@@H]1[C@@]2([C@@]([C@H]3[C@@]([C@@H](C(=C(C)C)CC3)CCCO)(C)CC2)(C)CC1)C)C)/C

subset

  • 2_STAR

synonym EXACT

  • (E,6R)-6-[(3R,3aR,5aS,6S,9aR,9bS)-6-(3-hydroxypropyl)-3a,5a,9b-trimethyl-7-propan-2-ylidene-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199641

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