Vitas-M small molecule compound

(8xi,9xi,14xi,17xi)-3-[(2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide

Catalog ID
STL581383
SMILES CO[C@H]1C[C@H](OC2CC[C@]3(C(C2)(O)CCC2C3CC[C@]3(C2(O)CCC3C2=CC(=O)OC2)C)C=O)O[C@@H]([C@H]1O)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 C30H44O9 MW 548.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19?,20?,21?,22?,23+,25+,26-,27-,28+,29?,30?/m1/s1
InChIKey
XQCGNURMLWFQJR-WTNWZEBDSA-N
Synonyms

(3S5S8R9S10S13R14S17R)514dihydroxy3(((2R4S5R6R)5hydroxy4methoxy6methyltetrahydro2Hpyran2yl)oxy)13methyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthrene10carbaldehyde
(8xi9xi14xi17xi)3((26dideoxy3OmethylbetaDribohexopyranosyl)oxy)514dihydroxy19oxocard20(22)enolide
CO(C@H)1C(C@H)(O(C@H)2CC(C@)3((C@)(C2)(O)CC(C@@H)2(C@@H)3CC(C@)3((C@)2(O)CC(C@@H)3C2=CC(=O)OC2)C)C=O)O(C@@H)((C@H)1O)C
MFCD33396905

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Available files

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