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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-(cyclohex-1-en-1-yl)ethyl]amino}-4-oxobutanoate

Catalog ID
STL553299
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)NCCC1=CCCCC1

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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 C27H41NO7 MW 491.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H41NO7/c1-17-9-10-21-18(2)24(32-25-27(21)20(17)13-15-26(3,33-25)34-35-27)31-23(30)12-11-22(29)28-16-14-19-7-5-4-6-8-19/h7,17-18,20-21,24-25H,4-6,8-16H2,1-3H3,(H,28,29)/t17-,18-,20+,21+,24-,25-,26?,27?/m1/s1
InChIKey
RCDJEKRGEWVOFY-ZITPKERISA-N
Synonyms

((4~(S)5~(R)8~(S)9~(R)10~(S)12~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)4(2(cyclohexen1yl)ethylamino)4oxobutanoate
(3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl4((2(cyclohex1en1yl)ethyl)amino)4oxobutanoate
(5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl4((2(cyclohex1en1yl)ethyl)amino)4oxobutanoate
16404164
InChI=1SC27H41NO7c1179102118(2)24(322527(21)20(17)131526(33325)343527)3123(30)121122(29)281614197546819h7171820212425H46816H213H3(H2829)t171820+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)NCCC1=CCCCC1
ZINC000100773554

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Available files

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