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Vitas-M small molecule compound

(8xi,9xi,14xi,17xi)-5-[(6-deoxy-alpha-D-mannopyranosyl)oxy]-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide

Catalog ID
STL564771
SMILES O=C[C@@]12CCC(CC2(CCC2C1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O[C@H]1O[C@H](C)[C@H]([C@@H]([C@@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)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 C35H52O14 MW 696.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H52O14/c1-16-24(38)26(40)28(42)30(46-16)48-19-4-9-33(15-36)21-5-8-32(3)20(18-12-23(37)45-14-18)7-11-35(32,44)22(21)6-10-34(33,13-19)49-31-29(43)27(41)25(39)17(2)47-31/h12,15-17,19-22,24-31,38-44H,4-11,13-14H2,1-3H3/t16-,17+,19?,20?,21?,22?,24-
InChIKey
ZPWPIKNEPPRDSS-WFJRFPQTSA-N
Synonyms

(10S13R)14hydroxy13methyl17(5oxo2Hfuran3yl)3((2R3R4R5R6S)345trihydroxy6methyloxan2yl)oxy5((2R3S4S5S6R)345trihydroxy6methyloxan2yl)oxy23467891112151617dodecahydro1Hcyclopenta(a)phenanthrene10carbaldehyde
(8xi9xi14xi17xi)5((6deoxyalphaDmannopyranosyl)oxy)3((6deoxyalphaLmannopyranosyl)oxy)14hydroxy19oxocard20(22)enolide
44661058
InChI=1SC35H52O14c11624(38)26(40)28(42)30(4616)48194933(1536)215832(3)20(181223(37)451418)71135(3244)22(21)61034(331319)493129(43)27(41)25(39)17(2)4731h121517192224313844H4111314H213H3t1617+19?20?21?22?2425+26+2728+293031+32+3334?35?m0s1
MFCD32651558
O=C(C@@)12CC(C@@H)(C(C@)2(CC(C@@H)2(C@@H)1CC(C@)1((C@)2(O)CC(C@@H)1C1=CC(=O)OC1)C)O(C@H)1O(C@H)(C)(C@H)((C@@H)((C@@H)1O)O)O)O(C@@H)1O(C@@H)(C)(C@@H)((C@H)((C@H)1O)O)O
ZINC000253488212
ZINC000253529402

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Available files

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