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Substance Name: Utilin
RN: 31218-22-1
InChIKey: HPSILLNWMJOWNM-TUNTXLKJSA-N

Molecular Formula

  • C41-H52-O17

Molecular Weight

  • 816.8448
 
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Names and Synonyms

Results Name

  • Utilin

Synonyms

  • Methyl (4S-(4alpha,4aalpha,6alpha(S*),6aalpha,7beta,7aalpha,9beta,10beta(2S*,3S*),10aalpha,11alpha,11abeta*,13alpha,14aR*,16R*))-11-(acetyloxy)-10-(((2,3-dimethyloxiranyl)carbonyl)oxy)-4-(3-furanyl)dodecahydro-7a,10a-dihydroxy-4a,7,9,13-tetramethyl-6-(2-methyl-1-oxobutoxy)-2-oxo-7H-6a,13-epoxy-7,9-methano(1,3)dioxolo(4,5-e)indeno(5,6-f)(2)benzopyran-16-acetate
  • Methyl 11-(acetyloxy)-10-(((2,3-dimethyloxiranyl)carbonyl)oxy)-4-(3-furanyl)dodecahydro-7a,10a-dihydroxy-4a,7,9,13-tetramethyl-6-(2-methyl-1-oxobutoxy)-2-oxo-7H-6a,13-epoxy-7,9-methano(1,3)dioxolo(4,5-e)indeno(5,6-f)(2)benzopyran-16-acetate (4S-(4alpha,4aalpha,6alpha(S*),6aalpha,7beta,7aalpha,9beta,10beta(2S*,3S*),10aalpha,11alpha,11abeta*,13alpha,14aR*,16R*))-
  • Utilin

Systematic Name

  • 7H-6a,13-Epoxy-7,9-methano(1,3)dioxolo(4,5-e)indeno(5,6-f)(2)benzopyran-16-acetic acid, 11-(acetyloxy)-10-(((2,3-dimethyloxiranyl)carbonyl)oxy)-4-(3-furanyl)dodecahydro-7a,10a-dihydroxy-4a,7,9,13-tetramethyl-6-(2-methyl-1-oxobutoxy)-2-oxo-, methyl ester, (4S-(4alpha,4aalpha,6alpha(S*),6aalpha,7beta,7aalpha,9beta,10beta(2S*,3S*),10aalpha,11alpha,11abeta*,13alpha,14aR*,16R*))-

Registry Numbers

CAS Registry Number

  • 31218-22-1

System Generated Number

  • 0031218221

Structure Descriptors

InChI

1S/C41H52O17/c1-11-19(2)28(45)52-24-15-33(6)27(22-12-13-50-17-22)53-26(44)16-38(33)41-30(51-21(4)42)39(48)29(54-31(46)34(7)20(3)55-34)32(5)18-37(39,47)35(8,23(32)14-25(43)49-10)40(24,41)57-36(9,56-38)58-41/h12-13,17,19-20,23-24,27,29-30,47-48H,11,14-16,18H2,1-10H3/t19?,20?,23-,24+,27-,29?,30+,32?,33-,34?,35?,36?,37?,38?,39?,40?,41?/m0/s1

InChIKey

HPSILLNWMJOWNM-TUNTXLKJSA-N

Smiles

CCC(C)C(=O)O[C@@H]1C[C@]2([C@@H](OC(=O)CC23C45C1(C6([C@H](C7(CC6(C([C@H]7OC(=O)C8(C(O8)C)C)([C@H]4OC(=O)C)O)O)C)CC(=O)OC)C)OC(O3)(O5)C)c9ccoc9)C