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

Catalog ID
STL529587
SMILES O=C(NC(C(=O)O)C)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1[C@H]2CCC2=CC(=O)C=C[C@]12C

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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 C28H37NO9 MW 531.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37NO9/c1-15(25(35)36)29-22(33)6-7-23(34)38-14-21(32)28(37)11-9-19-18-5-4-16-12-17(30)8-10-26(16,2)24(18)20(31)13-27(19,28)3/h8,10,12,15,18-20,24,31,37H,4-7,9,11,13-14H2,1-3H3,(H,29,33)(H,35,36)/t15?,18-,19?,20-,24?,26-,27-,28-/m0/s1
InChIKey
HAZIQSRGUCLJBT-PZTMJJBJSA-N
Synonyms

135639389
2((4(2((8~(S)10~(R)11~(S)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)propanoicacid
2(4(2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)propanoicacid
InChI=1SC28H37NO9c115(25(35)36)2922(33)6723(34)381421(32)28(37)119191854161217(30)81026(162)24(18)20(31)1327(1928)3h81012151820243137H479111314H213H3(H2933)(H3536)t15?1819?2024?262728m0s1
N(4(((9xi11beta14xi)1117dihydroxy320dioxopregna14dien21yl)oxy)4oxobutanoyl)alanine
O=C(NC(C(=O)O)C)CCC(=O)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
ZINC000070698116
ZINC001772492524

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Available files

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