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Chemistry, part 2

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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 > hopanoid > 35-o-beta-3,5-anhydrogalacturonopyranosylbacteriohopanetetrol 2beta-methyl
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > hopanoid > 35-o-beta-3,5-anhydrogalacturonopyranosylbacteriohopanetetrol 2beta-methyl

Preferred term

35-o-beta-3,5-anhydrogalacturonopyranosylbacteriohopanetetrol 2beta-methyl  

Type

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

Broader concept

charge

  • 0

formula

  • C42H70O9

inchi

  • InChI=1S/C42H70O9/c1-22-19-38(3,4)28-15-18-42(8)30(40(28,6)20-22)12-11-29-39(5)16-13-24(25(39)14-17-41(29,42)7)23(2)9-10-26(43)31(45)27(44)21-49-37-33(47)34-32(46)35(51-37)36(48)50-34/h22-35,37,43-47H,9-21H2,1-8H3/t22-,23+,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,37?,39+,40+,41-,42-/m1/s1

inchikey

  • LZFNRZGVNTWMJB-IUJMXDINSA-N

mass

  • 719.013

monoisotopicmass

  • 718.50198

smiles

  • O=C1OC2C(O)C(OC1C2O)OCC(O)C(O)C(O)CC[C@@H](C3C4[C@](C5[C@@]([C@]6(C([C@@]7(C(C(C[C@H](C7)C)(C)C)CC6)C)CC5)C)(C)CC4)(C)CC3)C

subset

  • 2_STAR

synonym EXACT

  • 3-[(7S)-7-[(5aR,5bR,10R,11aS,13bS)-5a,5b,8,8,10,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxyoctoxy]-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198933

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