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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 > (1r,2r,4as,6as,6br,10r,11s,12r,12ar)-1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-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 > (1r,2r,4as,6as,6br,10r,11s,12r,12ar)-1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Preferred term

(1r,2r,4as,6as,6br,10r,11s,12r,12ar)-1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H48O6

inchi

  • InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18?,19?,20+,21?,22+,23+,26-,27-,28+,29-,30+/m1/s1

inchikey

  • VULLSLYDWNGNKZ-WSUAMRMCSA-N

mass

  • 504.708

monoisotopicmass

  • 504.34509

smiles

  • O[C@@H]1[C@@]2(C3[C@]([C@]4(C(C5[C@@](CC4)(CC[C@H]([C@]5(O)C)C)C(O)=O)=CC3)C)(CCC2C([C@@H](O)[C@@H]1O)(C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1R,2R,4aS,6aS,6bR,10R,11S,12R,12aR)-1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181574

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