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N-(4-{[(8xi,9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)-beta-hydroxyphenylalanine

Catalog ID
STL527348
SMILES O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)C=C[C@]12C)CCC(=O)NC(C(c1ccccc1)O)C(=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 C34H41NO10 MW 623.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H41NO10/c1-32-14-12-21(36)16-20(32)8-9-22-23-13-15-34(44,33(23,2)17-24(37)28(22)32)25(38)18-45-27(40)11-10-26(39)35-29(31(42)43)30(41)19-6-4-3-5-7-19/h3-7,12,14,16,22-24,28-30,37,41,44H,8-11,13,15,17-18H2,1-2H3,(H,35,39)(H,42,43)/t22?,23?,24-,
InChIKey
PVRFIZPFOOFSKA-LOFYTMLPSA-N
Synonyms

2((4(2((10~(R)11~(S)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3hydroxy3phenylpropanoicacid
2(4(2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3hydroxy3phenylpropanoicacid
44662585
InChI=1SC34H41NO10c132141221(36)1620(32)892223131534(4433(232)1724(37)28(22)32)25(38)184527(40)111026(39)3529(31(42)43)30(41)196435719h3712141622242830374144H81113151718H212H3(H3539)(H4243)t22?23?2428?29?30?323334m0s1
MFCD03267713
N(4(((8xi9xi11beta14xi)1117dihydroxy320dioxopregna14dien21yl)oxy)4oxobutanoyl)betahydroxyphenylalanine
O=C(OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=O)C=C(C@)12C)CCC(=O)NC(C(c1ccccc1)O)C(=O)O
ZINC000253506091
ZINC000253506099

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Available files

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