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Concept information

ترکیب اکسیژن ارگانیک > نفتابلین سی

Preferred term

نفتابلین سی  

Type

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

charge

  • 0

formula

  • C29H34O9

inchi

  • InChI=1S/C29H34O9/c1-11(2)26(33)36-17-9-15-13(7-12(17)3)18-21(31)14-8-16(30)20-23(37-25-27(34)35-10-29(20,25)6)19(14)22(32)24(18)38-28(15,4)5/h8,11-13,15,17,25,27,30,34H,7,9-10H2,1-6H3/t12-,13-,15+,17+,25-,27+,29-/m1/s1

inchikey

  • JSRBXSCKRHOJOA-MPUJPLSISA-N

mass

  • 526.582

monoisotopicmass

  • 526.22028

smiles

  • O=C1C=2OC([C@H]3C[C@H](OC(=O)C(C)C)[C@@H](C[C@H]3C2C(=O)C4=C1C=5O[C@@H]6[C@H](OC[C@@]6(C5C(=C4)O)C)O)C)(C)C

subset

  • 2_STAR

synonym EXACT

  • [(4R,6R,7S,9S,17S,18S,21S)-18,23-dihydroxy-6,10,10,21-tetramethyl-2,13-dioxo-11,16,19-trioxahexacyclo[12.10.0.03,12.04,9.015,22.017,21]tetracosa-1(24),3(12),14,22-tetraen-7-yl] 2-methylpropanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206846

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