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(8xi,9xi,12alpha,14xi,17alpha)-3-{[hexopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide

Catalog ID
STL565410
SMILES OCC1OC(OC2C(C)OC(CC2OC(=O)C)OC2C(O)CC(OC2C)OC2C(O)CC(OC2C)OC2CC[C@]3(C(C2)CCC2C3C[C@H](O)[C@]3(C2(O)CC[C@H]3C2=CC(=O)OC2)C)C)C(C(C1O)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 C49H76O20 MW 985.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,
InChIKey
JAYAGJDXJIDEKI-QENBCSSSSA-N
Synonyms

(6(6(6(((10S12S13S17S)1214dihydroxy1013dimethyl17(5oxo2Hfuran3yl)1234567891112151617tetradecahydrocyclopenta(a)phenanthren3yl)oxy)4hydroxy2methyloxan3yl)oxy4hydroxy2methyloxan3yl)oxy2methyl3(345trihydroxy6(hydroxymethyl)oxan2yl)oxyoxan4yl)acetate
(8xi9xi12alpha14xi17alpha)3((hexopyranosyl(1>4)3Oacetyl26dideoxyhexopyranosyl(1>4)26dideoxyhexopyranosyl(1>4)26dideoxyhexopyranosyl)oxy)1214dihydroxycard20(22)enolide
44663187
InChI=1SC49H76O20c12143(67381732(53)44(22(2)6238)68391833(6424(4)51)45(23(3)6339)694642(58)41(57)40(56)34(1950)6646)31(52)1637(6121)652791147(5)26(1427)782930(47)1535(54)48(6)28(101249(2948)59)251336(55)602025h132123263537465052545659H7121420H216H3t2
OC(C@H)1OC(OC2(C@@H)(C)OC(C(C@@H)2OC(=O)C)OC2(C@@H)(O)CC(O(C@@H)2C)OC2(C@@H)(O)CC(O(C@@H)2C)O(C@H)2CC(C@)3((C@H)(C2)CC(C@@H)2C3C(C@@H)(O)(C@)3((C@)2(O)CC(C@@H)3C2=CC(=O)OC2)C)C)(C@@H)((C@H)((C@@H)1O)O)O
ZINC000253503177
ZINC000253503183

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Available files

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