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1-O-[(5xi,8xi,9xi,10xi,17xi,18xi)-3-{[4-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose

Catalog ID
STL565053
SMILES OC[C@H]1O[C@@H](OC2CCC3(C(C2(C)C)CCC2(C3CC=C3[C@@]2(C)CCC2(C3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)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 C48H78O18 MW 943.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H78O18/c1-43(2)14-16-48(42(60)66-41-36(58)33(55)31(53)25(20-50)62-41)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-39-37(59)34(56)38(26(21-51)63-39)65-40-35(57)32(54)30(52)24(19-49)61-40/h8,23-41,49-59H,9-21H2
InChIKey
NAIMCEFAGOEXSH-UQWAVVJKSA-N
Synonyms

((2S3R4S5S6R)345trihydroxy6(hydroxymethyl)oxan2yl)(6aS)10((2R3R4R5S6R)34dihydroxy6(hydroxymethyl)5((2S3R4S5R6R)345trihydroxy6(hydroxymethyl)oxan2yl)oxyoxan2yl)oxy226a6b9912aheptamethyl134566a788a1011121314btetradecahydropicene4acarboxylate
1O((5xi8xi9xi10xi17xi18xi)3((4O(betaDgalactopyranosyl)betaDglucopyranosyl)oxy)28oxoolean12en28yl)betaDglucopyranose
44658819
InChI=1SC48H78O18c143(2)141648(42(60)664136(58)33(55)31(53)25(2050)6241)171546(6)22(23(48)1843)892845(5)121129(44(34)27(45)101347(2846)7)643937(59)34(56)38(26(2151)6339)654035(57)32(54)30(52)24(1949)6140h823414959H921H217H3t23?24252627?28?29?30+3132+
OC(C@H)1O(C@@H)(O(C@@H)2CC(C@)3(C(C2(C)C)CC(C@@)2(C3CC=C3(C@@)2(C)CC(C@@)2((C@H)3CC(C)(C)CC2)C(=O)O(C@@H)2O(C@H)(CO)(C@H)((C@@H)((C@H)2O)O)O)C)C)(C@@H)((C@H)((C@@H)1O(C@@H)1O(C@H)(CO)(C@@H)((C@@H)((C@H)1O)O)O)O)OO
ZINC000252441278
ZINC000252441281

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Available files

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