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N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)threonine

Catalog ID
STL528031
SMILES O=C(NC(C(=O)O)C(O)C)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[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 C29H41NO9 MW 547.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H41NO9/c1-16(31)25(26(36)37)30-23(34)6-7-24(35)39-15-22(33)29(38)13-10-21-19-5-4-17-14-18(32)8-11-27(17,2)20(19)9-12-28(21,29)3/h14,16,19-21,25,31,38H,4-13,15H2,1-3H3,(H,30,34)(H,36,37)/t16?,19?,20?,21?,25?,27-,28-,29-/m0/s1
InChIKey
SYJFEZXIMZBLMC-WZJZYUEFSA-N
Synonyms

135639358
3hydroxy2((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)butanoicacid
3hydroxy2(4(2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)butanoicacid
InChI=1SC29H41NO9c116(31)25(26(36)37)3023(34)6724(35)391522(33)29(38)1310211954171418(32)81127(172)20(19)91228(2129)3h14161921253138H41315H213H3(H3034)(H3637)t16?19?20?21?25?272829m0s1
MFCD03849985
N(4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)threonine
O=C(NC(C(=O)O)C(O)C)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
ZINC001772492361
ZINC001772492364

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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