| SpectraBase Compound ID | HYVbbdckQ8c |
|---|---|
| InChI | InChI=1S/C60H76N12O16/c1-33(2)51-59(85)87-31-39(65-55(81)49-43(73)25-35-17-9-11-19-37(35)63-49)57(83)71-23-15-13-21-41(71)53(79)62-28-46(76)68(6)30-48(78)70(8)52(34(3)4)60(86)88-32-40(66-56(82)50-44(74)26-36-18-10-12-20-38(36)64-50)58(84)72-24-16-14-22-42(72)54(80)61-27-45(75)67(5)29-47(77)69(51)7/h9-12,17-20,25-26,33-34,39-42,51-52,73-74H,13-16,21-24,27-32H2,1-8H3,(H,61,80)(H,62,79)(H,65,81)(H,66,82)/t39-,40-,41+,42+,51+,52+/m1/s1 |
| InChIKey | WXIVYIYCEBUEHL-RTQGILJWSA-N |
| Mol Weight | 1221.3 g/mol |
| Molecular Formula | C60H76N12O16 |
| Exact Mass | 1220.550224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HhywN8yyBdF |
|---|---|
| Name | SANDRAMYCIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H76N12O16 |
| InChI | InChI=1S/C60H76N12O16/c1-33(2)51-59(85)87-31-39(65-55(81)49-43(73)25-35-17-9-11-19-37(35)63-49)57(83)71-23-15-13-21-41(71)53(79)62-28-46(76)68(6)30-48(78)70(8)52(34(3)4)60(86)88-32-40(66-56(82)50-44(74)26-36-18-10-12-20-38(36)64-50)58(84)72-24-16-14-22-42(72)54(80)61-27-45(75)67(5)29-47(77)69(51)7/h9-12,17-20,25-26,33-34,39-42,51-52,73-74H,13-16,21-24,27-32H2,1-8H3,(H,61,80)(H,62,79)(H,65,81)(H,66,82)/t39-,40-,41+,42+,51+,52+/m1/s1 |
| InChIKey | WXIVYIYCEBUEHL-RTQGILJWSA-N |
| Literature Reference Author | J.A.MATSON,K.L.COLSON,G.N.BELOFSKY,B.B.BLEIBERG |
| Literature Reference Citation | J.ANTIBIOTICS,46,162(1993) |
| Literature Reference DOI | 10.7164/antibiotics.46.162 |
| Molecular Weight | 1221.334 g/mol |
| Sample ID | 53442 |
| Solvent | CDCl3:DMSO-D6 |