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(19E,21E,25E,27E,29E,31E)-33-[(3-amino-3,6-dideoxyhexopyranosyl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid

Catalog ID
STL445703
SMILES OC1CCC(O)C(O)CC2(O)CC(O)C(C(O2)CC(/C=C/C=C/C=C/C=C/CC/C=C/C=C/C(C(C(C(OC(=O)CC(CC(C1)O)O)C)C)O)C)OC1OC(C)C(C(C1O)N)O)C(=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 C47H75NO17 MW 926.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58
InChIKey
VQOXZBDYSJBXMA-HWEHLMELSA-N
Synonyms

(19E21E25E27E29E31E)33((3amino36dideoxyhexopyranosyl)oxy)13479111737octahydroxy151618trimethyl13oxo1439dioxabicyclo(3331)nonatriaconta192125272931hexaene36carbo
(4E6E8E10E14E16E)3(4amino35dihydroxy6methyloxan2yl)oxy1925272932333537octahydroxy182021trimethyl23oxo2239dioxabicyclo(3331)nonatriaconta468101416hexaene38carboxylicacid
CC1C=CC=CCCC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(C(CCC(CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O
InChI=1SC47H75NO17c1271715131197568101214161834(644644(58)41(48)43(57)30(4)6346)243840(45(59)60)37(54)2647(616538)2536(53)35(52)201931(49)2132(50)2233(51)2339(55)6229(3)28(2)42(27)56h568101827384044464954565861H79192648H214H3(H5960)b65+108+1311+1412+
MFCD04108760
OC1CCC(O)C(O)CC2(O)CC(O)C(C(O2)CC(C=CC=CC=CC=CCCC=CC=CC(C(C(C(OC(=O)CC(CC(C1)O)O)C)C)O)C)OC1OC(C)C(C(C1O)N)O)C(=O)O
ZINC000256476873
ZINC000256476892

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Available files

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