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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > methyl ester > methyl lansiolate
organooxygen compound > carbonyl compound > carboxylic ester > methyl ester > methyl lansiolate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > methyl ester > methyl lansiolate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > methyl ester > methyl lansiolate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > secondary alcohol > methyl lansiolate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > secondary alcohol > methyl lansiolate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > methyl lansiolate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > methyl lansiolate

Preferred term

methyl lansiolate  

Type

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

Broader concept

charge

  • 0

formula

  • C31H50O3

has_functional_parent

has_role

inchi

  • InChI=1S/C31H50O3/c1-20(2)23-12-10-21(3)24(30(23,7)19-17-28(33)34-9)13-14-25-22(4)11-15-26-29(5,6)27(32)16-18-31(25,26)8/h10,23-27,32H,1,4,11-19H2,2-3,5-9H3/t23-,24-,25-,26-,27-,30-,31+/m0/s1

inchikey

  • UCRMFRXIRGKEPT-NGVCODNXSA-N

mass

  • 470.72690

monoisotopicmass

  • 470.37600

smiles

  • COC(=O)CC[C@]1(C)[C@@H](CC[C@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)C(C)=CC[C@H]1C(C)=C

subset

  • 3_STAR

synonym EXACT

  • methyl 3-[(1S,2S,6S)-2-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67484

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