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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 > (+)-12alpha,28-dihydroxy-3alpha-(3'-hydroxy-4'-methylglutaryloxy)-24-methyllanosta-8,24(31)-dien-26-oic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > (+)-12alpha,28-dihydroxy-3alpha-(3'-hydroxy-4'-methylglutaryloxy)-24-methyllanosta-8,24(31)-dien-26-oic acid

Preferred term

(+)-12alpha,28-dihydroxy-3alpha-(3'-hydroxy-4'-methylglutaryloxy)-24-methyllanosta-8,24(31)-dien-26-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C37H58O9

inchi

  • InChI=1S/C37H58O9/c1-21(23(3)32(43)44)9-10-22(2)24-13-16-36(7)25-11-12-27-34(5,26(25)17-28(39)37(24,36)8)15-14-29(35(27,6)20-38)46-31(42)19-33(4,45)18-30(40)41/h22-24,27-29,38-39,45H,1,9-20H2,2-8H3,(H,40,41)(H,43,44)/t22-,23+,24-,27-,28+,29-,33?,34-,35-,36+,37+/m1/s1

inchikey

  • RGQTXIRZQWQEOP-JCVKKWOASA-N

mass

  • 646.862

monoisotopicmass

  • 646.40808

smiles

  • O=C(O)[C@H](C(=C)CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H]([C@]([C@H](OC(=O)CC(O)(CC(=O)O)C)CC4)(CO)C)CC3)C)C[C@@H]2O)(C)CC1)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (2S,6R)-6-[(3R,4S,5R,10S,12S,13R,14S,17R)-3-(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy-12-hydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202180

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