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(8xi,9xi,14xi,17alpha)-3-[(6-deoxy-beta-D-gulopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide

Catalog ID
STL564609
SMILES O=C[C@@]12CCC(CC2(O)CCC2C1CC[C@]1(C2(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

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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 C29H42O10 MW 550.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15-,17?,18+,19?,20?,22+,23-,24-,25+,26-,27+,28?,29?/m1/s1
InChIKey
HULMNSIAKWANQO-KLFVYCLBSA-N
Synonyms

(10S13R17S)514dihydroxy13methyl17(5oxo2Hfuran3yl)3((2R3R4R5R6R)345trihydroxy6methyloxan2yl)oxy23467891112151617dodecahydro1Hcyclopenta(a)phenanthrene10carbaldehyde
(3S5S8R9S10S13R14S17R)514dihydroxy13methyl17(5oxo25dihydrofuran3yl)3(((2R3R4R5R6R)345trihydroxy6methyltetrahydro2Hpyran2yl)oxy)hexadecahydro1Hcyclopenta(a)phenanthrene10carbaldehyde
(8xi9xi14xi17alpha)3((6deoxybetaDgulopyranosyl)oxy)514dihydroxy19oxocard20(22)enolide
145705522
InChI=1SC29H42O10c11522(32)23(33)24(34)25(3815)39173827(1430)194726(2)18(161121(31)371316)61029(2636)20(19)5928(2735)1217h111415172022253236H3101213H212H3t1517?18+19?20?22+232425+2627+28?29?m1s1
MFCD32651517
O=C(C@@)12CC(C@@H)(C(C@@)2(O)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
ZINC001848443600
ZINC001848443603

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Available files

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