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5-tert-butyl 1-[(6alpha,8xi,9xi,14xi)-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl] N-(tert-butoxycarbonyl)glutamate

Catalog ID
STL565360
SMILES O=C(OC(C)(C)C)NC(C(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2C[C@@H](C2=CC(=O)C=C[C@]12C)C)CCC(=O)OC(C)(C)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 C36H53NO10 MW 659.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H53NO10/c1-20-16-22-23-13-15-36(44,35(23,9)18-26(39)29(22)34(8)14-12-21(38)17-24(20)34)27(40)19-45-30(42)25(37-31(43)47-33(5,6)7)10-11-28(41)46-32(2,3)4/h12,14,17,20,22-23,25-26,29,39,44H,10-11,13,15-16,18-19H2,1-9H3,(H,37,43)/t20-,22?,23?,25?
InChIKey
PNUPIZDYSQTFCJ-KWAWQTAHSA-N
Synonyms

44661887
5Otertbutyl1O(2((6S10R13S17R)1117dihydroxy61013trimethyl3oxo7891112141516octahydro6Hcyclopenta(a)phenanthren17yl)2oxoethyl)2((2methylpropan2yl)oxycarbonylamino)pentanedioate
5tertbutyl1((6alpha8xi9xi14xi)1117dihydroxy6methyl320dioxopregna14dien21yl)N(tertbutoxycarbonyl)glutamate
5tertbutyl1(2((6S8S9S10R11S13S14S17R)1117dihydroxy61013trimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethyl)2((tertbutoxycarbonyl)amino)pentanedioate
InChI=1SC36H53NO10c120162223131536(4435(239)1826(39)29(22)34(8)141221(38)1724(20)34)27(40)194530(42)25(3731(43)4733(56)7)101128(41)4632(23)4h1214172022232526293944H10111315161819H219H3(H3743)t2022?23?25?26?29?343536m0s1
O=C(OC(C)(C)C)NC(C(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2C(C@@H)(C2=CC(=O)C=C(C@)12C)C)CCC(=O)OC(C)(C)C
ZINC000253522741
ZINC000253522744

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Available files

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