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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-{[(2S)-1-{[2-(4-hydroxyphenyl)ethyl]amino}-4-methyl-1-oxopentan-2-yl]amino}-4-oxobutanoate

Catalog ID
STL531411
SMILES CC(C[C@@H](C(=O)NCCc1ccc(cc1)O)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3)C

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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 C33H48N2O9 MW 616.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H48N2O9/c1-19(2)18-26(29(39)34-17-15-22-7-9-23(36)10-8-22)35-27(37)12-13-28(38)40-30-21(4)25-11-6-20(3)24-14-16-32(5)42-31(41-30)33(24,25)44-43-32/h7-10,19-21,24-26,30-31,36H,6,11-18H2,1-5H3,(H,34,39)(H,35,37)/t20-,21-,24+,25+,26+,30-,31-,32-,
InChIKey
DUNUCUVGOJIKIR-SSGHQFMJSA-N
Synonyms
956817-85-9
(3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl4(((S)1((4hydroxyphenethyl)amino)4methyl1oxopentan2yl)amino)4oxobutanoate
(5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl4(((2S)1((2(4hydroxyphenyl)ethyl)amino)4methyl1oxopentan2yl)amino)4oxobutanoate
956817859
CC(C(C@@H)(C(=O)NCCc1ccc(cc1)O)NC(=O)CCC(=O)O(C@@H)1O(C@@H)2O(C@@)3(C)CC(C@@H)4(C@)2((C@H)((C@H)1C)CC(C@H)4C)OO3)C
InChI=1SC33H48N2O9c119(2)1826(29(39)341715227923(36)10822)3527(37)121328(38)403021(4)2511620(3)24141632(5)4231(4130)33(2425)444332h71019212426303136H61118H215H3(H3439)(H3537)t202124+25+26+30313233m1s1
MFCD07637462
ZINC000150361772

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Available files

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