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4,4'-(butane-1,4-diylbis{nitrilo(E)methylylidene[(9S,10R,13R,17S)-3,5,14-trihydroxy-13-methylhexadecahydro-10H-cyclopenta[a]phenanthrene-10,17-diyl]})difuran-2(5H)-one (non-preferred name)

Catalog ID
STL527425
SMILES OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CC[C@H]2C1=CC(=O)OC1)C)/C=N/CCCC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)O

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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 C50H72N2O10 MW 861.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C50H72N2O10/c1-43-13-7-37-39(49(43,59)19-11-35(43)31-23-41(55)61-27-31)9-17-47(57)25-33(53)5-15-45(37,47)29-51-21-3-4-22-52-30-46-16-6-34(54)26-48(46,58)18-10-40-38(46)8-14-44(2)36(12-20-50(40,44)60)32-24-42(56)62-28-32/h23-24,29-30,33-40,53-54,5
InChIKey
FXOWIGCIDJMTMG-YGHROPCSSA-N
Synonyms

44((3S3S5S5S8R8R9S9S10R10R13R13R14S14S17R17R)((1E1E)(butane14diylbis(azanylylidene))bis(methanylylidene))bis(3514trihydroxy13methylhexadecahydro1Hcyclopenta(a)phenanthrene1710diyl))bis(furan2(5H)one)
44(butane14diylbis(nitrilo(E)methylylidene((9S10R13R17S)3514trihydroxy13methylhexadecahydro10Hcyclopenta(a)phenanthrene1017diyl)))difuran2(5H)one(nonpreferredname)
InChI=1SC50H72N2O10c1431373739(49(4359)191135(43)312341(55)612731)91747(57)2533(53)51545(3747)295121342252304616634(54)2648(4658)18104038(46)81444(2)36(122050(4044)60)322442(56)622832h23242930334053545760H3222528H212H3b5129+5230+t33?34?3536373839?40?
MFCD03661386
O(C@H)1CC(C@)2((C@)(C1)(O)CC(C@@H)1(C@@H)2CC(C@)2((C@)1(O)CC(C@@H)2C1=CC(=O)OC1)C)C=NCCCCN=C(C@@)12CC(C@@H)(C(C@@)2(O)CC(C@@H)2(C@@H)1CC(C@)1((C@)2(O)CC(C@@H)1C1=CC(=O)OC1)C)O
ZINC000253501843
ZINC000253501850

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Available files

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