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

Catalog ID
STL528060
SMILES O=C(NC(C(=O)O)CC(=O)O)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 C29H39NO10 MW 561.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39NO10/c1-27-10-7-17(31)13-16(27)3-4-18-19(27)8-11-28(2)20(18)9-12-29(28,39)22(32)15-40-25(36)6-5-23(33)30-21(26(37)38)14-24(34)35/h13,18-21,39H,3-12,14-15H2,1-2H3,(H,30,33)(H,34,35)(H,37,38)/t18?,19?,20?,21?,27-,28-,29-/m0/s1
InChIKey
HXFUJZUMEQLQDU-WVJMZMHESA-N
Synonyms

2((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)butanedioicacid
2(4(2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)succinicacid
44664854
InChI=1SC29H39NO10c12710717(31)1316(27)341819(27)81128(2)20(18)91229(2839)22(32)154025(36)6523(33)3021(26(37)38)1424(34)35h13182139H3121415H212H3(H3033)(H3435)(H3738)t18?19?20?21?272829m0s1
MFCD03849948
N(4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)asparticacid
O=C(NC(C(=O)O)CC(=O)O)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
ZINC000253501781
ZINC000253501785

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Available files

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