Stimulon

Molecular Formula: C₉₂H₁₄₈O₄₆

InChI: InChI=1/C92H148O46/c1-13-36(3)45(126-54(101)25-41(98)24-46(37(4)14-2)127-80-64(111)58(105)48(30-94)128-80)23-40(97)26-55(102)132-70-39(6)125-82(73(67(70)114)136-79-66(113)61(108)69(38(5)124-79)133-78-63(110)59(106)49(32-122-78)130-84-75(116)91(120,34-96)35-123-84)138-85(119)92-22-21-86(7,8)27-43(92)42-15-16-51-87(9)19-18-53(88(10,33-95)50(87)17-20-89(51,11)90(42,12)28-52(92)100)131-83-74(137-81-65(112)60(107)57(104)47(29-93)129-81)71(68(115)72(135-83)76(117)118)134-77-62(109)56(103)44(99)31-121-77/h15,33,36-41,43-53,56-75,77-84,93-94,96-100,103-116,120H,13-14,16-32,34-35H2,1-12H3,(H,117,118)/t36u,37u,38-,39+,40?,41?,43-,44+,45?,46?,47+,48-,49+,50+,51+,52+,53-,56-,57-,58-,59-,60-,61-,62+,63+,64+,65+,66+,67-,68-,69-,70-,71-,72-,73+,74+,75-,77-,78-,79-,80+,81+,82-,83+,84-,87-,88-,89+,90+,91+,92+/m0/s1/f/h117H

InChIKey: InChIKey=XYVMMKXMQBIPIQ-NBGKZDQFDY
SMILES: CCC(C)C(CC(CC(=O)OC(CC(CC(=O)OC1C(OC(C(C1O)OC2C(C(C(C(O2)C)OC3C(C(C(CO3)OC4C(C(CO4)(CO)O)O)O)O)O)O)OC(=O)C56CCC(CC5C7=CCC8C9(CCC(C(C9CCC8(C7(CC6O)C)C)(C)C=O)OC1C(C(C(C(O1)C(=O)O)O)OC1C(C(C(CO1)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)(C)C)C)O)C(C)CC)O)OC1C(C(C(O1)CO)O)O

Names:
    beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16alpha)-28-((O-D-apio-beta-D-furanosyl-(1-3)-O-beta-D-xylofuranosyl-(1-6)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-3-O-(5-((5-(alpha-L-arabinofuranosloxy)-3-hydroxy-6-methyl-1-oxooctyl)oxy)-3-hydroxy-6-methyl-1-oxooctyl)-6-deoxy-beta-D-galactopyranosyl)oxy)-16-hydroxy-23,28-dioxoolean-12-en-3-yl O-beta-D-galactopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-
    QA 21
    QA 21V1
    QS 21
    QS-21
    QS21
    Stimulon
    (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aR,14aR,14bS)-8a-[(2S,3R,4R,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-5-[(2S,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-oxan-2-yl]oxy-3,4-dihydroxy-6-methyl-oxan-2-yl]oxy-5-[5-[5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-octanoyl]oxy-3-hydroxy-6-methyl-octanoyl]oxy-4-hydroxy-6-methyl-oxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-oxane-2-carboxylic acid
    141256-04-4
    154335-26-9
    170966-64-0

Registries:
    PubChem CID 60866
    PubChem ID 197102