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N-(4-oxo-4-{[(5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl]oxy}butanoyl)threonine

Catalog ID
STL553275
SMILES O=C(NC(C(=O)O)C(O)C)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C23H35NO10 MW 485.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H35NO10/c1-11-5-6-15-12(2)20(30-17(27)8-7-16(26)24-18(13(3)25)19(28)29)31-21-23(15)14(11)9-10-22(4,32-21)33-34-23/h11-15,18,20-21,25H,5-10H2,1-4H3,(H,24,26)(H,28,29)/t11-,12-,13?,14+,15+,18?,20-,21-,22?,23?/m1/s1
InChIKey
LBTSRSJNTNGWCF-KMTOCZAQSA-N
Synonyms

16403047
3hydroxy2((4oxo4(((4~(S)5~(R)8~(S)9~(R)10~(S)12~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)oxy)butanoyl)amino)butanoicacid
3hydroxy2(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)butanoicacid
InChI=1SC23H35NO10c111561512(2)20(3017(27)8716(26)2418(13(3)25)19(28)29)312123(15)14(11)91022(43221)333423h111518202125H510H214H3(H2426)(H2829)t111213?14+15+18?202122?23?m1s1
N(4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)threonine
O=C(NC(C(=O)O)C(O)C)CCC(=O)O(C@@H)1O(C@@H)2OC3(C)CC(C@@H)4C2((C@H)((C@H)1C)CC(C@H)4C)OO3
ZINC000100770393
ZINC000229932354

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Available files

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