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(8xi,14xi,17xi,19E)-3-[(2,6-dideoxyhexopyranosyl)oxy]-19-{[2-(4-fluorophenyl)ethyl]imino}-5,14-dihydroxycard-20(22)-enolide

Catalog ID
STL526165
SMILES O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/CCc1ccc(cc1)F)CCC(C2)OC1CC(O)C(C(O1)C)O)O)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 C37H50FNO8 MW 655.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H50FNO8/c1-22-33(42)30(40)18-32(46-22)47-26-7-13-35(21-39-16-11-23-3-5-25(38)6-4-23)28-8-12-34(2)27(24-17-31(41)45-20-24)10-15-37(34,44)29(28)9-14-36(35,43)19-26/h3-6,17,21-22,26-30,32-33,40,42-44H,7-16,18-20H2,1-2H3/b39-21+/t22?,26?,27?,28-,2
InChIKey
UGHBHGHMKLPTQY-MIGKVWNDSA-N
Synonyms

(8xi14xi17xi19E)3((26dideoxyhexopyranosyl)oxy)19((2(4fluorophenyl)ethyl)imino)514dihydroxycard20(22)enolide
4((3S5S8R9S10R13R14S17R)3(((2R4S5S6R)45dihydroxy6methyltetrahydro2Hpyran2yl)oxy)10((E)((4fluorophenethyl)imino)methyl)514dihydroxy13methylhexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC37H50FNO8c12233(42)30(40)1832(4622)472671335(21391611233525(38)6423)2881234(2)27(241731(41)452024)101537(3444)29(28)91436(3543)1926h3617212226303233404244H7161820H212H3b3921+t22?26?27?2829?30?32?33?34+3536?37?m0s1
MFCD02925044
O=C1OCC(=C1)(C@H)1CC(C@)2((C@)1(C)CC(C@H)1(C@H)2CC(C@)2((C@)1(C=NCCc1ccc(cc1)F)CC(C@@H)(C2)OC1CC(O)C(C(O1)C)O)O)O
ZINC001772492094
ZINC001772492097

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Available files

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