| SpectraBase Compound ID | 3RNiUE79Es8 |
|---|---|
| InChI | InChI=1S/C32H45N3O9S/c1-16-10-9-11-22(40-5)29(44-32(33)39)18(3)12-17(2)28(43-8)23(41-6)13-19(4)27(42-7)20-14-21-30(45-15-24(36)34-21)25(26(20)37)35-31(16)38/h9-12,14,17,19,22-23,27-29,37H,13,15H2,1-8H3,(H2,33,39)(H,34,36)(H,35,38)/b11-9-,16-10+,18-12+/t17-,19-,22-,23-,27+,28+,29-/m0/s1 |
| InChIKey | GYBQYXANPDPLKQ-DJQZFUDLSA-N |
| Mol Weight | 647.8 g/mol |
| Molecular Formula | C32H45N3O9S |
| Exact Mass | 647.287651 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1DOMG453k5k |
|---|---|
| Name | HERBIMYCIN_D |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H45N3O9S |
| InChI | InChI=1S/C32H45N3O9S/c1-16-10-9-11-22(40-5)29(44-32(33)39)18(3)12-17(2)28(43-8)23(41-6)13-19(4)27(42-7)20-14-21-30(45-15-24(36)34-21)25(26(20)37)35-31(16)38/h9-12,14,17,19,22-23,27-29,37H,13,15H2,1-8H3,(H2,33,39)(H,34,36)(H,35,38)/b11-9-,16-10+,18-12+/t17-,19-,22-,23-,27+,28+,29-/m0/s1 |
| InChIKey | GYBQYXANPDPLKQ-DJQZFUDLSA-N |
| Literature Reference Author | K.A.SHAABAN,X.WANG,S.I.ELSHAHAWI,L.V.PONOMAREVA,M.SUNKARA,G. C.COPLEY,J.C.HOWER,A |
| Literature Reference Citation | J.NAT.PROD.,76,1619(2013) |
| Literature Reference DOI | 10.1021/np400308w |
| Molecular Weight | 647.784 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ43140 |