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Concept information

Preferred term

استولونیفرون اس  

Type

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

Broader concept

charge

  • 0

formula

  • C29H46O5

has_parent_hydride

inchi

  • InChI=1S/C29H46O5/c1-14(2)15(3)17-11-18(17)16(4)20-7-8-21-19-12-24(32)29(34)10-9-22(30)26(33)28(29,6)25(19)23(31)13-27(20,21)5/h9-10,14-25,30-32,34H,7-8,11-13H2,1-6H3/t15-,16-,17-,18-,19+,20-,21+,22-,23-,24-,25-,27-,28+,29+/m1/s1

inchikey

  • VLHHDCPLZKAFIF-SEQHCROOSA-N

mass

  • 474.682

monoisotopicmass

  • 474.33452

smiles

  • O=C1[C@]2([C@](O)(C=C[C@H]1O)[C@H](O)C[C@@H]3[C@@H]2[C@H](O)C[C@@]4([C@@H]([C@@H]([C@@H]5[C@@H]([C@@H](C(C)C)C)C5)C)CC[C@@H]34)C)C

subset

  • 2_STAR

synonym EXACT

  • (2R,5R,6R,8S,9S,10R,11R,13R,14S,17R)-2,5,6,11-tetrahydroxy-10,13-dimethyl-17-[(1R)-1-[(1R,2R)-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212441

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