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Concept information

Preferred term

مالاکوسترون  

Type

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

Broader concept

charge

  • 0

formula

  • C27H44O8

inchi

  • InChI=1S/C27H44O8/c1-23(2,33)8-7-21(32)26(5,34)22-20(31)13-27(35)15-10-17(28)16-11-18(29)19(30)12-24(16,3)14(15)6-9-25(22,27)4/h10,14,16,18-22,29-35H,6-9,11-13H2,1-5H3/t14?,16-,18+,19-,20-,21+,22-,24+,25+,26?,27+/m0/s1

inchikey

  • ZOKOAVXGNRAXRR-BNUOIZDWSA-N

mass

  • 496.641

monoisotopicmass

  • 496.30362

smiles

  • O=C1C=C2[C@@]3(O)[C@@]([C@@H](C(O)([C@H](O)CCC(O)(C)C)C)[C@H](C3)O)(CCC2[C@@]4([C@H]1C[C@@H](O)[C@H](C4)O)C)C

subset

  • 2_STAR

synonym EXACT

  • (2S,3R,5R,10R,13R,14S,16S,17R)-2,3,14,16-tetrahydroxy-10,13-dimethyl-17-[(3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227515

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