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(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl 4-[(2,2-dimethoxyethyl)amino]-4-oxobutanoate

Catalog ID
STL002419
SMILES COC(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)OC

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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 C29H43NO9 MW 549.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H43NO9/c1-27-11-9-18(31)13-17(27)5-6-19-20-10-12-29(36,28(20,2)14-21(32)26(19)27)22(33)16-39-24(35)8-7-23(34)30-15-25(37-3)38-4/h13,19-21,25-26,32,36H,5-12,14-16H2,1-4H3,(H,30,34)/t19?,20?,21?,26?,27-,28-,29-/m0/s1
InChIKey
YMAOVCHJQQZOOI-CVFBPKLESA-N
Synonyms

(2((10R13S17R)1117dihydroxy1013dimethyl3oxo267891112141516decahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl)4(22dimethoxyethylamino)4oxobutanoate
(8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl4((22dimethoxyethyl)amino)4oxobutanoate
2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((22dimethoxyethyl)amino)4oxobutanoate
CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCC(=O)NCC(OC)OC)O)C)O
COC(CNC(=O)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)CC(C@)12C)OC
COC(CNC(=O)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)CC(C@)12C)OC
InChI=1SC29H43NO9c12711918(31)1317(27)561920101229(3628(202)1421(32)26(19)27)22(33)163924(35)8723(34)301525(373)384h13192125263236H5121416H214H3(H3034)t19?20?21?26?272829m0s1
ZINC000253531223
ZINC000253531226

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Available files

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