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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-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutanoate

Catalog ID
STL553363
SMILES COc1cc(CCNC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@@H]5C3([C@H]([C@H]2C)CC[C@H]5C)OO4)ccc1OC

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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 C29H41NO9 MW 547.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H41NO9/c1-17-6-8-21-18(2)26(36-27-29(21)20(17)12-14-28(3,37-27)38-39-29)35-25(32)11-10-24(31)30-15-13-19-7-9-22(33-4)23(16-19)34-5/h7,9,16-18,20-21,26-27H,6,8,10-15H2,1-5H3,(H,30,31)/t17-,18-,20+,21+,26-,27-,28?,29?/m1/s1
InChIKey
GMEKFPJZDNMCKT-ADOHBKSFSA-N
Synonyms

((4~(S)5~(R)8~(S)9~(R)10~(S)12~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)4(2(34dimethoxyphenyl)ethylamino)4oxobutanoate
(3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl4((34dimethoxyphenethyl)amino)4oxobutanoate
(5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl4((2(34dimethoxyphenyl)ethyl)amino)4oxobutanoate
16403491
COc1cc(CCNC(=O)CCC(=O)O(C@@H)2O(C@@H)3OC4(C)CC(C@@H)5C3((C@H)((C@H)2C)CC(C@H)5C)OO4)ccc1OC
InChI=1SC29H41NO9c117682118(2)26(362729(21)20(17)121428(33727)383929)3525(32)111024(31)301513197922(334)23(1619)345h79161820212627H681015H215H3(H3031)t171820+21+262728?29?m1s1
ZINC000100771305

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Available files

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