| SpectraBase Compound ID | 10kzrirITum |
|---|---|
| InChI | InChI=1S/C60H105N3O15/c1-37(2)20-15-16-26-55(72)76-47-31-45(64)30-46(65)32-50(67)38(3)22-18-24-42(7)56(41(6)21-14-12-10-11-13-17-29-63-59(61)62)77-58(74)43(8)25-19-23-39(4)51(68)35-52(69)44(9)49(66)28-27-40(5)54(71)36-60(75)57(73)53(70)34-48(33-47)78-60/h10-11,18-19,22-25,37,39-42,44-54,56-57,64-71,73,75H,12-17,20-21,26-36H2,1-9H3,(H4,61,62,63)/b11-10+,23-19+,24-18+,38-22+,43-25+/t39-,40-,41-,42+,44-,45+,46+,47-,48-,49+,50-,51-,52-,53+,54-,56-,57-,60+/m0/s1 |
| InChIKey | BVUYNCNBQQOXHY-SMJAMJITSA-N |
| Mol Weight | 1108.5 g/mol |
| Molecular Formula | C60H105N3O15 |
| Exact Mass | 1107.75457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ATTN1tFYKlF |
|---|---|
| Name | 23-(6-METHYL)-HEPTANOIC-ACID-DEMALONYLAZALOMYCIN-F(3A)-ESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H105N3O15 |
| InChI | InChI=1S/C60H105N3O15/c1-37(2)20-15-16-26-55(72)76-47-31-45(64)30-46(65)32-50(67)38(3)22-18-24-42(7)56(41(6)21-14-12-10-11-13-17-29-63-59(61)62)77-58(74)43(8)25-19-23-39(4)51(68)35-52(69)44(9)49(66)28-27-40(5)54(71)36-60(75)57(73)53(70)34-48(33-47)78-60/h10-11,18-19,22-25,37,39-42,44-54,56-57,64-71,73,75H,12-17,20-21,26-36H2,1-9H3,(H4,61,62,63)/b11-10+,23-19+,24-18+,38-22+,43-25+/t39-,40-,41-,42+,44-,45+,46+,47-,48-,49+,50-,51-,52-,53+,54-,56-,57-,60+/m0/s1 |
| InChIKey | BVUYNCNBQQOXHY-SMJAMJITSA-N |
| Literature Reference Author | G.YUAN,K.HONG,H.LIN,Z.SHE,J.LI |
| Literature Reference Citation | MAR.DRUGS,11,817(2013) |
| Literature Reference DOI | 10.3390/md11030817 |
| Molecular Weight | 1108.505 g/mol |
| Source File Reference | UWLU74789 |