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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > methyl aeruginosate b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > methyl aeruginosate b

Preferred term

methyl aeruginosate b  

Type

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

Broader concept

charge

  • 0

formula

  • C39H62O10

inchi

  • InChI=1S/C39H62O10/c1-22(40)47-32-27(48-31(42)21-36(6,45)20-30(41)46-10)19-37(7)25-16-18-38(8)24(23-11-14-29(35(4,5)44)49-33(23)43)15-17-39(38,9)26(25)12-13-28(37)34(32,2)3/h16,23-24,26-29,32-33,43-45H,11-15,17-21H2,1-10H3/t23?,24-,26?,27-,28?,29-,32?,33-,36?,37-,38-,39+/m1/s1

inchikey

  • LDAUEXYCJUSXQA-VVDQJYJHSA-N

mass

  • 690.915

monoisotopicmass

  • 690.43430

smiles

  • O=C(O[C@H]1C(OC(=O)C)C(C2CCC3C([C@]2(C1)C)=CC[C@@]4([C@@H](C5[C@@H](O[C@@H](C(O)(C)C)CC5)O)CC[C@@]34C)C)(C)C)CC(O)(CC(=O)OC)C

subset

  • 2_STAR

synonym EXACT

  • 1-O-[(2R,10S,13R,14S,17R)-3-acetyloxy-17-[(2R,6R)-2-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl] 5-O-methyl 3-hydroxy-3-methylpentanedioate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219059

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