Vitas-M small molecule compound
3-[(2-O-hexopyranuronosylhexopyranuronosyl)oxy]-11-oxoolean-12-en-29-oate
Catalog ID
STL372819
SMILES OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)[O-])C)C)C
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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 C42H61O16 MW 821.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,5InChIKey
LPLVUJXQOOQHMX-UHFFFAOYSA-MSynonyms
911217-00-03((2Ohexopyranuronosylhexopyranuronosyl)oxy)11oxoolean12en29oate
911217000
HYDROXYTETRAHYDRO2HPYRAN2CARBOXYLATE(NONPREFERRED
OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)(O))C)C)C
ZINC000253527860
ZINC000253527863
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