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Concept information

Preferred term

physapruin b  

Type

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

Broader concept

charge

  • 0

formula

  • C34H50O9

inchi

  • InChI=1S/C34H50O9/c1-8-9-17-41-33-13-10-11-25(36)30(33,6)23-12-14-29(5)32(39,24(23)19-27(33)42-22(4)35)15-16-34(29,40)31(7,38)26-18-20(2)21(3)28(37)43-26/h10-11,23-24,26-27,38-40H,8-9,12-19H2,1-7H3

inchikey

  • BUTLOLBCWDNVGA-UHFFFAOYSA-N

mass

  • 602.765

monoisotopicmass

  • 602.34548

smiles

  • OC12C(C(O)(CC1)C(O)(C3OC(=O)C(=C(C3)C)C)C)(CCC4C2CC(OC(=O)C)C5(OCCCC)C4(C)C(=O)C=CC5)C

subset

  • 2_STAR

synonym EXACT

  • [5-butoxy-17-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-14,17-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-6-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169045

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