(2E,4E,6E,8E,12E,18E,20E,22E,24E,26E,38E,48E)-56-[(2-amino-3-methyl-butanoyl)amino]-15,17,33,35,37,41,43,45,47,51,53-undecahydroxy-N-(2-hydroxy-5-oxo-1-cyclopentenyl)-14,16,30-trimethyl-31-oxo-29-(3,4,5-trihydroxy-6-methyl-oxan-2-yl)oxy-hexapentaconta-2,4,6,8,12,18,20,22,24,26,38,48-dodecaenamide
Molecular Formula:
C75H117N3O21
InChI: InChI=1/C75H117N3O21/c1-48(2)68(76)74(97)77-40-28-34-57(83)41-53(79)30-26-31-54(80)42-58(84)45-59(85)43-55(81)32-27-33-56(82)44-60(86)46-61(87)47-65(91)50(4)66(99-75-73(96)72(95)71(94)52(6)98-75)36-24-20-16-12-9-11-15-19-23-35-62(88)51(5)70(93)49(3)29-22-18-14-10-7-8-13-17-21-25-37-67(92)78-69-63(89)38-39-64(69)90/h7-13,15-17,19-27,29,31,33,35,37,48-62,66,68,70-73,75,79-89,93-96H,14,18,28,30,32,34,36,38-47,76H2,1-6H3,(H,77,97)(H,78,92)/b10-7+,11-9+,13-8+,16-12+,19-15+,21-17+,24-20+,29-22+,31-26+,33-27+,35-23+,37-25+/f/h77-78H
InChIKey: InChIKey=SEEFDWMQCINRPD-XEJQAFDNDF
SMILES: CC1C(C(C(C(O1)OC(CC=CC=CC=CC=CC=CC(C(C)C(C(C)C=CCCC=CC=CC=CC=CC(=O)NC2=C(CCC2=O)O)O)O)C(C)C(=O)CC(CC(CC(C=CCC(CC(CC(CC(C=CCC(CC(CCCNC(=O)C(C(C)C)N)O)O)O)O)O)O)O)O)O)O)O)O
Names:
(2E,4E,6E,8E,12E,18E,20E,22E,24E,26E,38E,48E)-56-[(2-amino-3-methyl-butanoyl)amino]-15,17,33,35,37,41,43,45,47,51,53-undecahydroxy-N-(2-hydroxy-5-oxo-1-cyclopentenyl)-14,16,30-trimethyl-31-oxo-29-(3,4,5-trihydroxy-6-methyl-oxan-2-yl)oxy-hexapentaconta-2,4,6,8,12,18,20,22,24,26,38,48-dodecaenamide
Registries:
PubChem CID 10011733
PubChem ID 14991533
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