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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)-L-aspartic acid

Catalog ID
STL553296
SMILES O=C(N[C@H](C(=O)O)CC(=O)O)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 C23H33NO11 MW 499.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H33NO11/c1-11-4-5-14-12(2)20(32-21-23(14)13(11)8-9-22(3,33-21)34-35-23)31-18(28)7-6-16(25)24-15(19(29)30)10-17(26)27/h11-15,20-21H,4-10H2,1-3H3,(H,24,25)(H,26,27)(H,29,30)/t11-,12-,13+,14+,15+,20-,21-,22?,23?/m1/s1
InChIKey
QKRDRBZKADKVFA-IQEVYQNESA-N
Synonyms

(2~(S))2((4oxo4(((4~(S)5~(R)8~(S)9~(R)10~(S)12~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)oxy)butanoyl)amino)butanedioicacid
(S)2(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)succinicacid
16406057
InChI=1SC23H33NO11c111451412(2)20(322123(14)13(11)8922(33321)343523)3118(28)7616(25)2415(19(29)30)1017(26)27h11152021H410H213H3(H2425)(H2627)(H2930)t111213+14+15+202122?23?m1s1
N(4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)Lasparticacid
O=C(N(C@H)(C(=O)O)CC(=O)O)CCC(=O)O(C@@H)1O(C@@H)2OC3(C)CC(C@@H)4C2((C@H)((C@H)1C)CC(C@H)4C)OO3
ZINC000100781721

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Available files

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