| SpectraBase Compound ID | 9FY3s4s9e5E |
|---|---|
| InChI | InChI=1S/C50H77NO13/c1-29-15-11-10-12-16-30(2)41(61-8)27-37-20-18-35(7)50(60,64-37)47(57)48(58)51-22-14-13-17-38(51)49(59)63-42(32(4)25-36-19-21-39(52)43(26-36)62-9)28-40(53)31(3)24-34(6)45(55)46(56)44(54)33(5)23-29/h10-12,15-16,24,29,31-33,35-39,41-43,45-46,52,55-56,60H,13-14,17-23,25-28H2,1-9H3/b12-10+,15-11+,30-16-,34-24+/t29-,31-,32-,33-,35-,36-,37?,38+,39+,41-,42+,43+,45-,46+,50-/m1/s1 |
| InChIKey | FQQYOXPFBMYCPO-YFBTYEAUSA-N |
| Mol Weight | 900.2 g/mol |
| Molecular Formula | C50H77NO13 |
| Exact Mass | 899.539492 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4GC2fIcKJIP |
|---|---|
| Name | 27-O-DEMETHYLRAPAMYCIN;MAJOR-ISOMER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H77NO13 |
| InChI | InChI=1S/C50H77NO13/c1-29-15-11-10-12-16-30(2)41(61-8)27-37-20-18-35(7)50(60,64-37)47(57)48(58)51-22-14-13-17-38(51)49(59)63-42(32(4)25-36-19-21-39(52)43(26-36)62-9)28-40(53)31(3)24-34(6)45(55)46(56)44(54)33(5)23-29/h10-12,15-16,24,29,31-33,35-39,41-43,45-46,52,55-56,60H,13-14,17-23,25-28H2,1-9H3/b12-10+,15-11+,30-16-,34-24+/t29-,31-,32-,33-,35-,36-,37?,38+,39+,41-,42+,43+,45-,46+,50-/m1/s1 |
| InChIKey | FQQYOXPFBMYCPO-YFBTYEAUSA-N |
| Literature Reference Author | S.J.BOX,P.R.SHELLEY,J.W.TYLER,M.S.VERRALL,S.R.C.WARR,A.M.BAD GER,M.A.LEVY,R.M.BAN |
| Literature Reference Citation | J.ANTIBIOTICS,48,1347(1995) |
| Literature Reference DOI | 10.7164/antibiotics.48.1347 |
| Molecular Weight | 900.160 g/mol |
| Solvent | CDCl3;C=50MG/0.5ML |
| Source File Reference | UWCS25683 |