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(8xi,9xi,14xi,17alpha)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 4-[(furan-2-ylmethyl)amino]-4-oxobutanoate

Catalog ID
STL553038
SMILES O=C(NCc1ccco1)CCC(=O)OCC(=O)C1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=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 C30H37NO8 MW 539.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H37NO8/c1-28-11-9-19(32)14-18(28)5-6-21-22-10-12-30(37,29(22,2)15-23(33)27(21)28)24(34)17-39-26(36)8-7-25(35)31-16-20-4-3-13-38-20/h3-4,9,11,13-14,21-23,27,33,37H,5-8,10,12,15-17H2,1-2H3,(H,31,35)/t21?,22?,23?,27?,28-,29-,30?/m0/s1
InChIKey
KUOIOLIROJEQAC-JKIDWRITSA-N
Synonyms

(2((10~(R)13~(S))1117dihydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4(furan2ylmethylamino)4oxobutanoate
(8xi9xi14xi17alpha)1117dihydroxy320dioxopregna14dien21yl4((furan2ylmethyl)amino)4oxobutanoate
135640867
2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethyl4((furan2ylmethyl)amino)4oxobutanoate
InChI=1SC30H37NO8c12811919(32)1418(28)562122101230(3729(222)1523(33)27(21)28)24(34)173926(36)8725(35)31162043133820h3491113142123273337H5810121517H212H3(H3135)t21?22?23?27?282930?m0s1
O=C(NCc1ccco1)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
ZINC000252346944
ZINC001772492991

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Available files

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