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(5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl 4-{[2-(4-hydroxyphenyl)ethyl]amino}-4-oxobutanoate

Catalog ID
STL553232
SMILES 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)NCCc1ccc(cc1)O

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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 C27H37NO8 MW 503.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO8/c1-16-4-9-21-17(2)24(33-25-27(21)20(16)12-14-26(3,34-25)35-36-27)32-23(31)11-10-22(30)28-15-13-18-5-7-19(29)8-6-18/h5-8,16-17,20-21,24-25,29H,4,9-15H2,1-3H3,(H,28,30)/t16-,17-,20+,21+,24-,25-,26?,27?/m1/s1
InChIKey
RSRXOIRJTNGRJS-VRYFRXKJSA-N
Synonyms

((4~(S)5~(R)8~(S)9~(R)10~(S)12~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)4(2(4hydroxyphenyl)ethylamino)4oxobutanoate
(3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl4((4hydroxyphenethyl)amino)4oxobutanoate
(5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl4((2(4hydroxyphenyl)ethyl)amino)4oxobutanoate
16406111
InChI=1SC27H37NO8c116492117(2)24(332527(21)20(16)121426(33425)353627)3223(31)111022(30)281513185719(29)8618h5816172021242529H4915H213H3(H2830)t161720+21+242526?27?m1s1
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)NCCc1ccc(cc1)O
ZINC000100781852

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Available files

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