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Chemistry, part 2

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > cyclic fatty acid > heterocyclic fatty acid > (2s,3r,4s)-4-[(2s,7s,8r,9s)-2-[(5s)-5-ethyl-5-[(3s,5r)-5-[(3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-oxanyl]-3-methyl-2-oxolanyl]-2-oxolanyl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > cyclic fatty acid > heterocyclic fatty acid > (2s,3r,4s)-4-[(2s,7s,8r,9s)-2-[(5s)-5-ethyl-5-[(3s,5r)-5-[(3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-oxanyl]-3-methyl-2-oxolanyl]-2-oxolanyl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > cyclic fatty acid > heterocyclic fatty acid > (2s,3r,4s)-4-[(2s,7s,8r,9s)-2-[(5s)-5-ethyl-5-[(3s,5r)-5-[(3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-oxanyl]-3-methyl-2-oxolanyl]-2-oxolanyl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > fatty acid > cyclic fatty acid > heterocyclic fatty acid > (2s,3r,4s)-4-[(2s,7s,8r,9s)-2-[(5s)-5-ethyl-5-[(3s,5r)-5-[(3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-oxanyl]-3-methyl-2-oxolanyl]-2-oxolanyl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid > cyclic fatty acid > heterocyclic fatty acid > (2s,3r,4s)-4-[(2s,7s,8r,9s)-2-[(5s)-5-ethyl-5-[(3s,5r)-5-[(3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-oxanyl]-3-methyl-2-oxolanyl]-2-oxolanyl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid

Preferred term

(2s,3r,4s)-4-[(2s,7s,8r,9s)-2-[(5s)-5-ethyl-5-[(3s,5r)-5-[(3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-oxanyl]-3-methyl-2-oxolanyl]-2-oxolanyl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C36H62O11

inchi

  • InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27?,28?,29+,30-,31?,33-,34-,35?,36-/m0/s1

inchikey

  • GAOZTHIDHYLHMS-NKKNJRNPSA-N

mass

  • 670.872

monoisotopicmass

  • 670.42921

smiles

  • CC[C@]1(CCC(O1)[C@@]2(CCC3(O2)C[C@@H]([C@H]([C@H](O3)[C@@H](C)[C@H]([C@H](C)C(=O)O)OC)C)O)C)C4[C@H](C[C@@H](O4)C5[C@H](C[C@H]([C@@](O5)(CO)O)C)C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:95215

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