| SpectraBase Spectrum ID |
JfmzWymty6A |
| Name |
(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-[[2-[4-(benzyl)piperazin-1-yl]-3,4-diketo-1-cyclobutenyl]amino]-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone |
| Compound Number |
34 |
| Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula |
C42H43N3O12 |
| InChI |
InChI=1S/C42H43N3O12/c1-20-35(47)25(43-33-34(41(53)40(33)52)45-14-12-44(13-15-45)19-22-8-5-4-6-9-22)16-28(56-20)57-27-18-42(54,21(2)46)17-24-30(27)39(51)32-31(37(24)49)36(48)23-10-7-11-26(55-3)29(23)38(32)50/h4-11,20,25,27-28,35,43,47,49,51,54H,12-19H2,1-3H3/t20-,25-,27-,28-,35+,42-/m0/s1 |
| InChIKey |
TXWZQCBOIWLJGF-CPILEKJASA-N |
| Literature Reference Author |
F.SZTARICSKAI,A.SUM,E.ROTH,I.F.PELYVAS,S.SANDOR,G.BATTA,P.HE
RCZEGH,J.REMENYI,Z.M |
| Literature Reference Citation |
J.ANTIBIOTICS,58,704(2005) |
| Literature Reference DOI |
10.1038/ja.2005.96 |
| Molecular Weight |
781.816 g/mol |
| Solvent |
CDCl3:DMSO-D6 |
| Source File Reference |
UWMB439 |
![(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-[[2-[4-(benzyl)piperazin-1-yl]-3,4-diketo-1-cyclobutenyl]amino]-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone](/api/spectrum/JfmzWymty6A/structure.png?h=300&w=458 "(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-[[2-[4-(benzyl)piperazin-1-yl]-3,4-diketo-1-cyclobutenyl]amino]-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone")
