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(8xi,14xi,17xi,19E)-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-{[2-(piperidin-1-yl)ethyl]imino}card-20(22)-enolide

Catalog ID
STL526366
SMILES O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/CCN1CCCCC1)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 C36H56N2O8 MW 644.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H56N2O8/c1-23-32(41)29(39)19-31(45-23)46-25-6-11-34(22-37-14-17-38-15-4-3-5-16-38)27-7-10-33(2)26(24-18-30(40)44-21-24)9-13-36(33,43)28(27)8-12-35(34,42)20-25/h18,22-23,25-29,31-32,39,41-43H,3-17,19-21H2,1-2H3/b37-22+/t23?,25?,26?,27-,28?,29?,
InChIKey
BPEFBUCRELMZJR-BPLPDTEGSA-N
Synonyms

(8xi14xi17xi19E)3((26dideoxyhexopyranosyl)oxy)514dihydroxy19((2(piperidin1yl)ethyl)imino)card20(22)enolide
4((3S5S8R9S10R13R14S17R)3((45dihydroxy6methyltetrahydro2Hpyran2yl)oxy)514dihydroxy13methyl10((E)((2(piperidin1yl)ethyl)imino)methyl)hexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC36H56N2O8c12332(41)29(39)1931(4523)462561134(2237141738154351638)2771033(2)26(241830(40)442124)91336(3343)28(27)81235(3442)2025h18222325293132394143H3171921H212H3b3722+t23?25?26?2728?29?31?32?33+3435?36?m0s1
MFCD02924846
O=C1OCC(=C1)(C@H)1CC(C@)2((C@)1(C)CC(C@H)1(C@H)2CC(C@)2((C@)1(C=NCCN1CCCCC1)CC(C@@H)(C2)OC1CC(O)C(C(O1)C)O)O)O
ZINC001772491998
ZINC001772492001

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Available files

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