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Concept information

Preferred term

آسپرینول D  

Type

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

charge

  • 0

formula

  • C33H39NO8

inchi

  • InChI=1S/C33H39NO8/c1-18(35)40-28(2,3)27(37)42-29(4)17-39-33-14-13-30(5)31(6)19(15-21-20-9-7-8-10-22(20)34-25(21)31)11-12-32(30,38)24(33)16-23(36)26(29)41-33/h7-10,16,19,26,34,38H,11-15,17H2,1-6H3/t19-,26-,29-,30+,31+,32+,33+/m0/s1

inchikey

  • ZUKZDCPDVNVZEK-PNPWAEHXSA-N

mass

  • 577.674

monoisotopicmass

  • 577.26757

smiles

  • O=C1C=C2[C@@]3(OC[C@@]([C@H]1O3)(OC(=O)C(OC(=O)C)(C)C)C)CC[C@]4([C@@]2(O)CC[C@@H]5[C@@]4(C=6NC=7C=CC=CC7C6C5)C)C

subset

  • 2_STAR

synonym EXACT

  • [(1R,4R,5S,16S,19S,23R,24S)-19-hydroxy-4,5,24-trimethyl-22-oxo-26,27-dioxa-7-azaheptacyclo[21.3.1.01,20.04,19.05,16.06,14.08,13]heptacosa-6(14),8,10,12,20-pentaen-24-yl] 2-acetyloxy-2-methylpropanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213709

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