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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 > organic hydroxy compound > alcohol > aliphatic alcohol > (1s,2s,4ar,6s,8-s,8as,3′s,5′r,2′′s)-methyl 1,2,4a,5,6,7,8,8a-octahydro-3′,5′-dihydroxy-2,6-dimethyl-8-[(2-methyl-1-oxobutyl)oxy]-1-naphthaleneheptanoate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > aliphatic alcohol > (1s,2s,4ar,6s,8-s,8as,3′s,5′r,2′′s)-methyl 1,2,4a,5,6,7,8,8a-octahydro-3′,5′-dihydroxy-2,6-dimethyl-8-[(2-methyl-1-oxobutyl)oxy]-1-naphthaleneheptanoate

Preferred term

(1s,2s,4ar,6s,8-s,8as,3′s,5′r,2′′s)-methyl 1,2,4a,5,6,7,8,8a-octahydro-3′,5′-dihydroxy-2,6-dimethyl-8-[(2-methyl-1-oxobutyl)oxy]-1-naphthaleneheptanoate  

Type

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

Broader concept

charge

  • 0

formula

  • C25H40O6

inchi

  • InChI=1S/C25H40O6/c1-6-16(3)25(29)31-22-12-15(2)11-18-8-7-17(4)21(24(18)22)10-9-19(26)13-20(27)14-23(28)30-5/h7-8,11,15-17,19-22,24,26-27H,6,9-10,12-14H2,1-5H3/t15-,16-,17-,19+,20+,21-,22-,24-/m0/s1

inchikey

  • VMFMWORUCARLEW-PNFAOAAFSA-N

mass

  • 436.589

monoisotopicmass

  • 436.28249

smiles

  • O=C(O[C@@H]1[C@H]2C(C=C[C@@H]([C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)OC)C)=C[C@@H](C1)C)[C@H](CC)C

subset

  • 2_STAR

synonym EXACT

  • methyl (3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-dimethyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213804

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