| SpectraBase Compound ID | GFOqBEEPO3T |
|---|---|
| InChI | InChI=1S/C76H125N19O19/c1-38(2)32-51(63(107)92-71(10,11)65(109)86-48(26-29-54(77)98)59(103)81-36-45(37-96)40(5)6)85-61(105)50(28-31-56(79)100)88-67(111)73(14,15)94-69(113)75(18,19)90-57(101)41(7)82-60(104)49(27-30-55(78)99)87-66(110)72(12,13)93-64(108)52(33-39(3)4)89-68(112)74(16,17)95-70(114)76(20,21)91-58(102)42(8)83-62(106)53(84-43(9)97)34-44-35-80-47-25-23-22-24-46(44)47/h22-25,35,38-42,45,48-53,80,96H,26-34,36-37H2,1-21H3,(H2,77,98)(H2,78,99)(H2,79,100)(H,81,103)(H,82,104)(H,83,106)(H,84,97)(H,85,105)(H,86,109)(H,87,110)(H,88,111)(H,89,112)(H,90,101)(H,91,102)(H,92,107)(H,93,108)(H,94,113)(H,95,114) |
| InChIKey | HQZWZVOSUFIJAZ-UHFFFAOYSA-N |
| Mol Weight | 1608.9 g/mol |
| Molecular Formula | C76H125N19O19 |
| Exact Mass | 1607.939913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FVow7SHcbDc |
|---|---|
| Name | AMPULLOSPORIN-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H125N19O19 |
| InChI | InChI=1S/C76H125N19O19/c1-38(2)32-51(63(107)92-71(10,11)65(109)86-48(26-29-54(77)98)59(103)81-36-45(37-96)40(5)6)85-61(105)50(28-31-56(79)100)88-67(111)73(14,15)94-69(113)75(18,19)90-57(101)41(7)82-60(104)49(27-30-55(78)99)87-66(110)72(12,13)93-64(108)52(33-39(3)4)89-68(112)74(16,17)95-70(114)76(20,21)91-58(102)42(8)83-62(106)53(84-43(9)97)34-44-35-80-47-25-23-22-24-46(44)47/h22-25,35,38-42,45,48-53,80,96H,26-34,36-37H2,1-21H3,(H2,77,98)(H2,78,99)(H2,79,100)(H,81,103)(H,82,104)(H,83,106)(H,84,97)(H,85,105)(H,86,109)(H,87,110)(H,88,111)(H,89,112)(H,90,101)(H,91,102)(H,92,107)(H,93,108)(H,94,113)(H,95,114) |
| InChIKey | HQZWZVOSUFIJAZ-UHFFFAOYSA-N |
| Literature Reference Author | M.KRONEN,P.KLEINWAECHTER,B.SCHLEGEL,A.HAERTL,U.GRAEFE |
| Literature Reference Citation | J.ANTIBIOTICS,54,175(2001) |
| Literature Reference DOI | 10.7164/antibiotics.54.175 |
| Molecular Weight | 1608.944 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI1428 |