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(8xi,9xi,14xi,17xi)-3-{[(4xi)-2,6-dideoxy-4-O-(D-glucopyranosyl)-3-O-methyl-beta-D-erythro-hexopyranosyl]oxy}-5,14-dihydroxycard-20(22)-enolide

Catalog ID
STL564461
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[C@@H](C1OC1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)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 C36H56O13 MW 696.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H56O13/c1-18-31(49-32-30(41)29(40)28(39)25(16-37)48-32)24(44-4)14-27(46-18)47-20-5-9-33(2)22-6-10-34(3)21(19-13-26(38)45-17-19)8-12-36(34,43)23(22)7-11-35(33,42)15-20/h13,18,20-25,27-32,37,39-43H,5-12,14-17H2,1-4H3/t18-,20?,21?,22?,23?,24+,25-
InChIKey
KWBPKUMWVXUSCA-YCUSOVAHSA-N
Synonyms

(8xi9xi14xi17xi)3(((4xi)26dideoxy4O(Dglucopyranosyl)3OmethylbetaDerythrohexopyranosyl)oxy)514dihydroxycard20(22)enolide
139291935
3((10R13R)514dihydroxy3((2R4S6R)4methoxy6methyl5((3R4S5S6R)345trihydroxy6(hydroxymethyl)oxan2yl)oxyoxan2yl)oxy1013dimethyl23467891112151617dodecahydro1Hcyclopenta(a)phenanthren17yl)2Hfuran5one
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(C@@H)(C1OC1O(C@H)(CO)(C@H)((C@@H)((C@H)1O)O)O)C
InChI=1SC36H56O13c11831(493230(41)29(40)28(39)25(1637)4832)24(444)1427(4618)47205933(2)2261034(3)21(191326(38)451719)81236(3443)23(22)71135(3342)1520h131820252732373943H5121417H214H3t1820?21?22?23?24+2527+2829+3031?32?333435?36?m1s1
MFCD32651476
ZINC001848443639
ZINC001848443642

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Available files

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