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3-[(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)propanoic acid

Catalog ID
STL527161
SMILES O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)CCC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)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 C37H53NO10 MW 671.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H53NO10/c1-22(39)48-37(16-12-28-26-7-6-24-18-25(40)10-14-35(24,4)27(26)11-15-36(28,37)5)30(41)21-46-33(45)9-8-31(42)38-29(19-32(43)44)23-13-17-47-34(2,3)20-23/h18,23,26-29H,6-17,19-21H2,1-5H3,(H,38,42)(H,43,44)/t23?,26?,27?,28?,29?,35-,36-,37-
InChIKey
IMGXNHDLBBMAQV-KEBDSPAUSA-N
Synonyms

3((4(((8xi9xi14xi)17(acetyloxy)320dioxopregn4en21yl)oxy)4oxobutanoyl)amino)3(22dimethyltetrahydro2Hpyran4yl)propanoicacid
3((4(2((10~(R)13~(S)17~(R))17acetyloxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3(22dimethyloxan4yl)propanoicacid
3(4(2((8R9S10R13S14S17R)17acetoxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3(22dimethyltetrahydro2Hpyran4yl)propanoicacid
44662280
InChI=1SC37H53NO10c122(39)4837(1612282676241825(40)101435(244)27(26)111536(2837)5)30(41)214633(45)9831(42)3829(1932(43)44)2313174734(23)2023h18232629H6171921H215H3(H3842)(H4344)t23?26?27?28?29?353637m0s1
MFCD03267839
O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)CCC(=O)OCC(=O)(C@)1(CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)OC(=O)C
ZINC000253505204
ZINC000253505212

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Available files

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