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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 > butyl lucidenate a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > butyl lucidenate a

Preferred term

butyl lucidenate a  

Type

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

Broader concept

charge

  • 0

formula

  • C31H46O6

inchi

  • InChI=1S/C31H46O6/c1-8-9-14-37-25(36)11-10-18(2)19-15-24(35)31(7)27-20(32)16-22-28(3,4)23(34)12-13-29(22,5)26(27)21(33)17-30(19,31)6/h18-20,22,32H,8-17H2,1-7H3/t18-,19-,20+,22+,29+,30-,31+/m1/s1

inchikey

  • VTRNTNWDQWDREE-UGUHEFQYSA-N

mass

  • 514.703

monoisotopicmass

  • 514.32944

smiles

  • O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3(C1)C)[C@@H](CCC(=O)OCCCC)C)C)[C@@H](O)C[C@@H]4[C@@]2(CCC(C4(C)C)=O)C

subset

  • 2_STAR

synonym EXACT

  • butyl (4R)-4-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199034

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