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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-dihydroxyphenyl)ethyl]amino}-4-oxobutanoate

Catalog ID
STL553288
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(c(c1)O)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 C27H37NO9 MW 519.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO9/c1-15-4-6-19-16(2)24(34-25-27(19)18(15)10-12-26(3,35-25)36-37-27)33-23(32)9-8-22(31)28-13-11-17-5-7-20(29)21(30)14-17/h5,7,14-16,18-19,24-25,29-30H,4,6,8-13H2,1-3H3,(H,28,31)/t15-,16-,18+,19+,24-,25-,26?,27?/m1/s1
InChIKey
LBQUZEGPLOWJBH-RYFLVAIISA-N
Synonyms

((4~(S)5~(R)8~(S)9~(R)10~(S)12~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)4(2(34dihydroxyphenyl)ethylamino)4oxobutanoate
(3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl4((34dihydroxyphenethyl)amino)4oxobutanoate
(5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl4((2(34dihydroxyphenyl)ethyl)amino)4oxobutanoate
16403127
InChI=1SC27H37NO9c115461916(2)24(342527(19)18(15)101226(33525)363727)3323(32)9822(31)281311175720(29)21(30)1417h571416181924252930H46813H213H3(H2831)t151618+19+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(c(c1)O)O
ZINC000100770601

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Available files

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