| SpectraBase Compound ID | FsNmTEnycB |
|---|---|
| InChI | InChI=1S/C65H95NO21/c1-13-14-18-29-51-64(7,8)62(84-53(70)32-43-26-19-17-20-27-43)61(72)65(74,87-51)44(63(73)66-31-24-23-25-38(2)58(78-12)39(3)47-33-45(67)46(83-47)28-21-15-16-22-30-52(68)69)37-79-54-35-49(76-10)59(41(5)81-54)86-56-36-50(77-11)60(42(6)82-56)85-55-34-48(75-9)57(71)40(4)80-55/h13-30,39-42,44-51,54-62,67,71-72,74H,31-37H2,1-12H3,(H,66,73)(H,68,69)/b14-13-,16-15+,24-23+,28-21+,29-18+,30-22+,38-25+/t39?,40-,41-,42+,44?,45?,46?,47?,48-,49-,50-,51-,54+,55-,56-,57+,58?,59+,60+,61+,62-,65+/m0/s1 |
| InChIKey | LNHMLFJFDISYQH-HQPGSDISSA-N |
| Mol Weight | 1226.5 g/mol |
| Molecular Formula | C65H95NO21 |
| Exact Mass | 1225.639659 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7HX6OZ53YWy |
|---|---|
| Name | GANEFROMYCIN_BETA |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H95NO21 |
| InChI | InChI=1S/C65H95NO21/c1-13-14-18-29-51-64(7,8)62(84-53(70)32-43-26-19-17-20-27-43)61(72)65(74,87-51)44(63(73)66-31-24-23-25-38(2)58(78-12)39(3)47-33-45(67)46(83-47)28-21-15-16-22-30-52(68)69)37-79-54-35-49(76-10)59(41(5)81-54)86-56-36-50(77-11)60(42(6)82-56)85-55-34-48(75-9)57(71)40(4)80-55/h13-30,39-42,44-51,54-62,67,71-72,74H,31-37H2,1-12H3,(H,66,73)(H,68,69)/b14-13-,16-15+,24-23+,28-21+,29-18+,30-22+,38-25+/t39?,40-,41-,42+,44?,45?,46?,47?,48-,49-,50-,51-,54+,55-,56-,57+,58?,59+,60+,61+,62-,65+/m0/s1 |
| InChIKey | LNHMLFJFDISYQH-HQPGSDISSA-N |
| Literature Reference Author | G.T.CARTER,D.W.PHILLIPSON,R.R.WEST,D.B.BORDERS |
| Literature Reference Citation | J.ORG.CHEM.,58,6588(1993) |
| Literature Reference DOI | 10.1021/jo00076a016 |
| Molecular Weight | 1226.463 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ3946 |