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(8xi,14xi,17alpha,19E)-3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-[(pyridin-3-ylmethyl)imino]card-20(22)-enolide

Catalog ID
STL534028
SMILES COC1CC(OC2CC[C@]3(C(C2)(O)CCC2[C@@H]3CC[C@]3(C2(O)CC[C@H]3C2=CC(=O)OC2)C)/C=N/Cc2cccnc2)OC(C1O)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 C36H50N2O8 MW 638.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H50N2O8/c1-22-32(40)29(43-3)16-31(45-22)46-25-6-11-34(21-38-19-23-5-4-14-37-18-23)27-7-10-33(2)26(24-15-30(39)44-20-24)9-13-36(33,42)28(27)8-12-35(34,41)17-25/h4-5,14-15,18,21-22,25-29,31-32,40-42H,6-13,16-17,19-20H2,1-3H3/b38-21+/t22?,25?,26-
InChIKey
RHESVOZCQUDOQI-XBZHBJERSA-N
Synonyms

(8xi14xi17alpha19E)3((26dideoxy3Omethylhexopyranosyl)oxy)514dihydroxy19((pyridin3ylmethyl)imino)card20(22)enolide
4((9S10R13R17S)514dihydroxy3(((2R4S5R6R)5hydroxy4methoxy6methyltetrahydro2Hpyran2yl)oxy)13methyl10((E)((pyridin3ylmethyl)imino)methyl)hexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
COC1CC(OC2CC(C@)3(C(C2)(O)CCC2(C@@H)3CC(C@)3(C2(O)CC(C@H)3C2=CC(=O)OC2)C)C=NCc2cccnc2)OC(C1O)C
InChI=1SC36H50N2O8c12232(40)29(433)1631(4522)462561134(213819235414371823)2771033(2)26(241530(39)442024)91336(3342)28(27)81235(3441)1725h451415182122252931324042H61316171920H213H3b3821+t22?25?262728?29?31?32?33+3435?36?m0s1
MFCD08284328
ZINC000070708426
ZINC000070708439

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Available files

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