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(4R)-4-amino-5-{2-[(10R,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy}-5-oxopentanoic acid (non-preferred name)

Catalog ID
STL525468
SMILES OC(=O)CC[C@H](C(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)N

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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 C26H37NO8 MW 491.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H37NO8/c1-24-9-7-15(28)11-14(24)3-4-16-17-8-10-26(34,25(17,2)12-19(29)22(16)24)20(30)13-35-23(33)18(27)5-6-21(31)32/h11,16-19,22,29,34H,3-10,12-13,27H2,1-2H3,(H,31,32)/t16?,17?,18-,19?,22?,24+,25+,26+/m1/s1
InChIKey
PMBTXCFVSKWSHR-MUPXNHQISA-N
Synonyms

(4~(R))4amino5(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)5oxopentanoicacid
(4R)4amino5(2((10R13S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)5oxopentanoicacid(nonpreferredname)
(S)4amino5(2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)5oxopentanoicacidhydrochloride
135639060
InChI=1SC26H37NO8c1249715(28)1114(24)34161781026(3425(172)1219(29)22(16)24)20(30)133523(33)18(27)5621(31)32h111619222934H310121327H212H3(H3132)t16?17?1819?22?24+25+26+m1s1
MFCD01082162
OC(=O)CC(C@@H)(C(=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)NCl
ZINC000253487750
ZINC001772491968

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Available files

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