6-[(11-carboxy-6a,6b,8a,11,14b-pentamethyl-14-oxo-1,2,3,4,4a,5,6,7,8,9,10,12,12a,14a-tetradecahydropicen-3-yl)oxy]-5-(6-carboxy-3,4,5-trihydroxy-oxan-2-yl)oxy-3,4-dihydroxy-oxane-2-carboxylic acid; cobalt
Molecular Formula:
C80H116CoO32
InChI: InChI=1/2C40H58O16.Co/c2*1-36-10-11-37(2,35(51)52)16-20(36)19-15-21(41)30-38(3)8-7-18(14-17(38)6-9-40(30,5)39(19,4)13-12-36)53-34-29(25(45)24(44)28(55-34)32(49)50)56-33-26(46)22(42)23(43)27(54-33)31(47)48;/h2*15,17-18,20,22-30,33-34,42-46H,6-14,16H2,1-5H3,(H,47,48)(H,49,50)(H,51,52);/f/h2*47,49,51H;
InChIKey: InChIKey=XAPNHRHPFHMVON-CWYSSOAACY
SMILES: CC12CCC(CC1C3=CC(=O)C4C5(CCC(CC5CCC4(C3(CC2)C)C)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C)(C)C(=O)O.CC12CCC(CC1C3=CC(=O)C4C5(CCC(CC5CCC4(C3(CC2)C)C)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C)(C)C(=O)O.[Co]
Names:
6-[(11-carboxy-6a,6b,8a,11,14b-pentamethyl-14-oxo-1,2,3,4,4a,5,6,7,8,9,10,12,12a,14a-tetradecahydropicen-3-yl)oxy]-5-(6-carboxy-3,4,5-trihydroxy-oxan-2-yl)oxy-3,4-dihydroxy-oxane-2-carboxylic acid; cobalt
Registries:
PubChem CID 3562910
PubChem ID 4822684
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