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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-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate

Catalog ID
STL553273
SMILES COC(=O)C(c1ccccc1)NC(=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 C28H37NO9 MW 531.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37NO9/c1-16-10-11-20-17(2)25(35-26-28(20)19(16)14-15-27(3,36-26)37-38-28)34-22(31)13-12-21(30)29-23(24(32)33-4)18-8-6-5-7-9-18/h5-9,16-17,19-20,23,25-26H,10-15H2,1-4H3,(H,29,30)/t16-,17-,19+,20+,23?,25-,26-,27?,28?/m1/s1
InChIKey
CMDVSEUMPNJWPP-WYMIHXRVSA-N
Synonyms

((4~(S)5~(R)8~(S)9~(R)10~(S)12~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)4((2methoxy2oxo1phenylethyl)amino)4oxobutanoate
(3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl4((2methoxy2oxo1phenylethyl)amino)4oxobutanoate
(5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl4((2methoxy2oxo1phenylethyl)amino)4oxobutanoate
16404789
COC(=O)C(c1ccccc1)NC(=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
InChI=1SC28H37NO9c11610112017(2)25(352628(20)19(16)141527(33626)373828)3422(31)131221(30)2923(24(32)334)188657918h5916171920232526H1015H214H3(H2930)t161719+20+23?252627?28?m1s1
ZINC000100776104
ZINC000106362118

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Available files

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