Chemical Compound

Stimulon

CAS Registry Number 141256-04-4

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Primary Record

Stimulon

In stock: 2,196 g
Purity: 99.8 %
CAS: 141256-04-4

Compound Identifiers & Properties

CAS: 141256-04-4
PubChem CID: 73652135
SMILES: CC[C@H](C)[C@H](C[C@@H](CC(=O)O[C@@H](C[C@@H](CC(=O)O[C@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O[C@H]4[C@@H]([C@](CO4)(CO)O)O)O)O)O)OC(=O)[C@]56CCC(C[C@H]5C7=CC[C@@H]8[C@]9(CC[C@@H]([C@@]([C@@H]9CC[C@]8([C@@]7(C[C@H]6O)C)C)(C)C=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)(C)C)C)O)[C@@H](C)CC)O)O[C@H]1[C@@H]([C@H]([C@@H](O1)CO)O)O
Canonical SMILES: CC[C@H](C)[C@H](C[C@H](O)CC(=O)O[C@@H]1[C@H](O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(C=O)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)O[C@@H]1C)OC(=O)C[C@@H](O)C[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)[C@@H](C)CC

Names & Synonyms

Stimulon
QS-21
Saponin QA 21V1
Saponin S6
QS21 saponin
Saponin QA-21V1
3LHL0S9KBM
QS 21
QS-21-Api
RefChem:47338
UNII-3LHL0S9KBM
QS21
QS-21-APIOSE ISOMER
141256-04-4
QA 21V1
UNII-61H83WZX3U
QA-21V1
QS-21V1
orb1691736
QA 21
SQ 21A
CHEMBL5183733
SCHEMBL29359065
DTXSID601318719
STIMULON (REFERENCE GRADE)
EX-A12300
QS-21-APIOSE 4-ACYL ISOMER
QS-21?
AKOS040756745
C92H148O46
C92-H148-O46
CID:73652135
DA-77280
MS-32234
SID:433986470
HY-101092
CS-0020802
J1.448.957F
G12906
C078785
A1012168
B0005-279950
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-[(3S,5S,6S)-5-[(3S,5S,6S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-4-hydroxy-6-methyloxan-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-[(2S,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]oxyoxane-2-carboxylic acid
(2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-({[(2S,3R,4S,5R,6R)-3-{[(2S,3R,4S,5R,6S)-5-{[(2S,3R,4S,5R)-4-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-5-{[(3S,5S,6S)-5-{[(3S,5S,6S)-5-{[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-6-methyloctanoyl]oxy}-3-hydroxy-6-methyloctanoyl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}carbonyl)-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3-hydroxy-5-{[(2S,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
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.ALPHA.,16.ALPHA.)-28-((O-D-APIO-.BETA.-D-FURANOSYL-(1->3)-O-.BETA.-D-XYLOPYRANOSYL-(1->4)-O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-4-O-(5-((5-(.ALPHA.-L-ARABINOFURANOSYLOXY)-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))-
3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-4-O-[(3S,5S,6S)-5-{[(3S,5S,6S)-5-(alpha-L-arabinofuranosyloxy)-3-hydroxy-6-methyloctanoyl]oxy}-3-hydroxy-6-methyloctanoyl]-6-deoxy-1-O-(3beta-{[beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranuronosyl]oxy}-16alpha-hydroxy-24,28-dioxoolean-12-en-28-yl)-beta-D-galactopyranose
3beta-(2-O-beta-D-Galactopyranosyl-3-O-beta-D-xylopyranosyl-beta-D-glucopyranuronosyloxy)-16alpha-hydroxy-23-oxooleana-12-ene-28-oic acid 28-[2-O-[4-O-(3-O-D-apio-beta-D-furanosyl-beta-D-xylopyranosyl)-alpha-L-rhamnopyranosyl]-4-O-[(3S,5S,6S)-3-hydroxy-5-[[(3S,5S,6S)-3-hydroxy-5-(alpha-L-arabinofuranosyloxy)-6-methyloctanoyl]oxy]-6-methyloctanoyl]-beta-D-fucopyranosyl] ester
3beta-[(2-O-beta-D-Galactopyranosyl-3-O-beta-D-xylopyranosyl-beta-D-glucopyranuronosyl)oxy]-16alpha-hydroxy-23-oxooleana-12-ene-28-oic acid 28-[2-O-[4-O-(3-O-D-apio-beta-D-furanosyl-beta-D-xylopyranosyl)-alpha-L-rhamnopyranosyl]-4-O-[(3S,5S,6S)-3-hydroxy-5-[[(3S,5S,6S)-3-hydroxy-5-(alpha-L-arabinofuranosyloxy)-6-methyloctanoyl]oxy]-6-methyloctanoyl]-beta-D-fucopyranosyl] ester
3beta-[2-O-(beta-D-Galactopyranosyl)-3-O-(beta-D-xylopyranosyl)-beta-D-glucopyranuronosyloxy]-16alpha-hydroxy-23-oxooleana-12-ene-28-oic acid 28-[4-O-[(3S,5S,6S)-5-[[(3S,5S,6S)-5-(alpha-L-arabinofuranosyloxy)-3-hydroxy-6-methyloctanoyl]oxy]-3-hydroxy-6-methyloctanoyl]-2-O-[4-O-[3-O-(D-apio-beta-D-furanosyl)-beta-D-xylopyranosyl]-alpha-L-rhamnopyranosyl]-beta-D-fucopyranosyl] ester
beta-D-GLUCOPYRANOSIDURONIC ACID, (3beta,4alpha,16alpha)-28-((O-D-APIO-beta-D-FURANOSYL-(1->3)-O-beta-D-XYLOPYRANOSYL-(1->4)-O-6-DEOXY-alpha-L-MANNOPYRANOSYL-(1->2)-4-O-(5-((5-(alpha-L-ARABINOFURANOSYLOXY)-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))-
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))-