InChI=1S/C33H48N4O6/c1- 7- 20- 19(6) 32(42) 37- 27(20) 14- 25- 18(5) 23(10- 12- 31(40) 41) 29(35- 25) 15- 28- 22(9- 11- 30(38) 39) 17(4) 24(34- 28) 13- 26- 16(3) 21(8- 2) 33(43) 36- 26/h16,19- 21,26- 27,34- 35H,7- 15H2,1- 6H3,(H,36,43) (H,37,42) (H,38,39) (H,40,41) /t16- ,19- ,20- ,21- ,26+,27+/m1/s1 |
VKGRRZVYCXLHII-OLFWPHQKSA-N |
[H] [C@@] 1(Cc2[nH] c(Cc3[nH] c(C[C@] 4([H] ) NC(=O) [C@H] (C) [C@H] 4CC) c(C) c3CCC(O) =O) c(CCC(O) =O) c2C) NC(=O) [C@H] (CC) [C@H] 1C |
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(2R,3R,4S,16S,17R,18R)-10,23-dihydrostercobilin
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(2R,3R,4S,16S,17R,18R)- 2,17- diethyl- 3,7,13,18- tetramethyl- 1,19- dioxo- 1,2,3,4,5,10,15,16,17,18,19,22,23,24- tetradecahydro- 21H- biline- 8,12- dipropanoic acid
Note: (2006-09-11) An equivalent name based on the skeletal numbering used for the stercobilin parent structure would be (2R,3R,4S,16S,17R,18R)-3,18-diethyl-2,7,13,17-tetramethyl-1,19-dioxo-1,2,3,4,5,10,15,16,17,18,19,22,23,24-tetradecahydro-21H-biline-8,12-dipropanoic acid. However, because of the symmetrical nature of the stercobilinogen molecule the direction of the skeletal numbering is reversed so that the earlier-cited substituents (the ethyl groups) may take the preferred lower locants 2,17. |
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(2R,3R,4S,16S,17R,18R)- 2,17- diethyl- 1,2,3,4,5,10,15,16,17,18,19,22,23,24- tetradecahydro- 3,7,13,18- tetramethyl- 1,19- dioxo- 21H- biline- 8,12- dipropanoic acid
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ChemIDplus
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L-Stercobilinogen
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KEGG COMPOUND
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Stercobilinogen
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KEGG COMPOUND
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17095-63-5
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CAS Registry Number
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ChemIDplus
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