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(8xi,9xi,11alpha,14xi,17xi)-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolide

Catalog ID
STL564558
SMILES OC[C@@]12C(O)CC(CC2(O)CCC2C1[C@H](O)C[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

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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 C29H44O12 MW 584.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15?,16?,17?,18+,19?,21?,22-,23+,24+,25-,26+,27?,28
InChIKey
LPMXVESGRSUGHW-CABZCUHZSA-N
Synonyms

(8xi9xi11alpha14xi17xi)3((6deoxyalphaLmannopyranosyl)oxy)15111419pentahydroxycard20(22)enolide
145705513
3((10R11R13R)151114tetrahydroxy10(hydroxymethyl)13methyl3((2R3R4R5R6S)345trihydroxy6methyloxan2yl)oxy23467891112151617dodecahydro1Hcyclopenta(a)phenanthren17yl)2Hfuran5one
4((1S3S5S8R9S10R11R13R14S17R)151114tetrahydroxy10(hydroxymethyl)13methyl3(((2R3R4R5R6S)345trihydroxy6methyltetrahydro2Hpyran2yl)oxy)hexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC29H44O12c11322(34)23(35)24(36)25(4013)4115819(32)28(1230)2117(3527(2837)915)29(38)6416(14720(33)391114)26(292)1018(21)31h7131519212530323438H36812H212H3t1315?16?17?18+19?21?2223+24+2526+27?28+29?m0s1
MFCD32651503
OC(C@@)12(C@@H)(O)C(C@@H)(C(C@@)2(O)CC(C@@H)2(C@@H)1(C@H)(O)C(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
ZINC000253621704
ZINC001848443654

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Available files

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