| SpectraBase Compound ID | 9OJcUnkbSl2 |
|---|---|
| InChI | InChI=1S/C78H132O21/c1-44-23-27-55(79)35-57-19-17-21-59(95-57)40-69(91-15)49(6)66(82)43-68(84)52(9)77(54(11)75(88)46(3)26-29-62-39-64(90-14)34-48(5)94-62)98-73(86)31-32-78(12)71(99-78)37-56(80)36-58-20-18-22-60(96-58)41-70(92-16)50(7)65(81)42-67(83)51(8)76(97-72(85)30-24-44)53(10)74(87)45(2)25-28-61-38-63(89-13)33-47(4)93-61/h17-20,23-24,30-32,45-71,74-77,79-84,87-88H,21-22,25-29,33-43H2,1-16H3/b30-24+,32-31+,44-23+/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+,69-,70-,71-,74-,75-,76-,77-,78-/m0/s1 |
| InChIKey | RQFQJDBDZNFGTP-JQEATNELSA-N |
| Mol Weight | 1405.9 g/mol |
| Molecular Formula | C78H132O21 |
| Exact Mass | 1404.926111 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9eg7PJmlpFh |
|---|---|
| Name | SWINHOLIDE-J |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H132O21 |
| InChI | InChI=1S/C78H132O21/c1-44-23-27-55(79)35-57-19-17-21-59(95-57)40-69(91-15)49(6)66(82)43-68(84)52(9)77(54(11)75(88)46(3)26-29-62-39-64(90-14)34-48(5)94-62)98-73(86)31-32-78(12)71(99-78)37-56(80)36-58-20-18-22-60(96-58)41-70(92-16)50(7)65(81)42-67(83)51(8)76(97-72(85)30-24-44)53(10)74(87)45(2)25-28-61-38-63(89-13)33-47(4)93-61/h17-20,23-24,30-32,45-71,74-77,79-84,87-88H,21-22,25-29,33-43H2,1-16H3/b30-24+,32-31+,44-23+/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+,69-,70-,71-,74-,75-,76-,77-,78-/m0/s1 |
| InChIKey | RQFQJDBDZNFGTP-JQEATNELSA-N |
| Literature Reference Author | S.D.MARINO,C.FESTA,M.V.D.AURIA,T.CRESTEIL,C.DEBITUS,A.ZAMPEL LA |
| Literature Reference Citation | MAR.DRUGS,9,1133(2011) |
| Literature Reference DOI | 10.3390/md9061133 |
| Molecular Weight | 1405.893 g/mol |
| Source File Reference | UWBT7015 |