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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > methyl 25-hydroxy-3-epidehydrotumulosate

Preferred term

methyl 25-hydroxy-3-epidehydrotumulosate  

Type

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

Broader concept

charge

  • 0

formula

  • C32H50O5

inchi

  • InChI=1S/C32H50O5/c1-19(29(4,5)36)10-11-20(27(35)37-9)26-23(33)18-32(8)22-12-13-24-28(2,3)25(34)15-16-30(24,6)21(22)14-17-31(26,32)7/h12,14,20,23-26,33-34,36H,1,10-11,13,15-18H2,2-9H3/t20?,23-,24+,25-,26+,30-,31-,32+/m1/s1

inchikey

  • QYINWYSAHKZFTN-HSTXRIAUSA-N

mass

  • 514.747

monoisotopicmass

  • 514.36582

smiles

  • O=C(OC)C([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H](C([C@H](O)CC4)(C)C)CC3)C)=CC2)(C)C[C@H]1O)C)CCC(=C)C(O)(C)C

subset

  • 2_STAR

synonym EXACT

  • methyl 2-[(3R,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-6-methyl-5-methylideneheptanoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199520

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