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Chemistry, part 2

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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 > (1r,3as,5as,5br,11ar,13ar)-5b,8,8,11a-tetramethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1h-cyclopenta[a]chrysene-3a,5a-dicarboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > (1r,3as,5as,5br,11ar,13ar)-5b,8,8,11a-tetramethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1h-cyclopenta[a]chrysene-3a,5a-dicarboxylic acid

Preferred term

(1r,3as,5as,5br,11ar,13ar)-5b,8,8,11a-tetramethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1h-cyclopenta[a]chrysene-3a,5a-dicarboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H44O5

inchi

  • InChI=1S/C30H44O5/c1-17(2)18-9-14-29(24(32)33)15-16-30(25(34)35)19(23(18)29)7-8-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,30)6/h18-21,23H,1,7-16H2,2-6H3,(H,32,33)(H,34,35)/t18?,19-,20?,21?,23?,27+,28-,29+,30-/m1/s1

inchikey

  • KLJFTUNIPQRKKH-VWNYDUDGSA-N

mass

  • 484.677

monoisotopicmass

  • 484.31887

smiles

  • OC(=O)[C@]12[C@]3(C([C@@]4(C(CC3)C(C(=O)CC4)(C)C)C)CC[C@@]1(C5[C@@](CC2)(CCC5C(C)=C)C(O)=O)[H])C

subset

  • 2_STAR

synonym EXACT

  • (1R,3aS,5aS,5bR,11aR,13aR)-5b,8,8,11a-tetramethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a,5a-dicarboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181551

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