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Concept information

Preferred term

8 بتا، 9 آلفا دی هیدروگانودریک اسید J  

Type

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

Broader concept

charge

  • 0

formula

  • C30H44O7

inchi

  • InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18,21,23-25,35H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,21+,23+,24+,25-,28+,29-,30+/m1/s1

inchikey

  • WRTHLDKBEDRUGJ-GSNIORKHSA-N

mass

  • 516.675

monoisotopicmass

  • 516.30870

smiles

  • O=C1C([C@H]2[C@]([C@H]3C(=O)C[C@@]4([C@@H]([C@@H](CC(=O)C[C@H](C(=O)O)C)C)C[C@@H]([C@]4([C@@H]3C(C2)=O)C)O)C)(C)CC1)(C)C

subset

  • 2_STAR

synonym EXACT

  • (2R,6R)-6-[(5R,8R,9S,10S,13R,14S,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,7,11-trioxo-1,2,5,6,8,9,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203868

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