| SpectraBase Compound ID | J93YU4hhUGM |
|---|---|
| InChI | InChI=1S/C76H130O20/c1-43-23-28-55(77)35-57-19-17-21-59(93-57)39-70(90-16)50(8)66(80)42-68(82)52(10)75(54(12)73(85)45(3)27-31-62-38-64(88-14)34-48(6)92-62)96-76(86)46(4)25-29-56(78)36-58-20-18-22-60(94-58)40-69(89-15)49(7)65(79)41-67(81)51(9)74(95-71(83)32-24-43)53(11)72(84)44(2)26-30-61-37-63(87-13)33-47(5)91-61/h17-20,23-25,32,44-45,47-70,72-75,77-82,84-85H,21-22,26-31,33-42H2,1-16H3/b32-24+,43-23+,46-25+/t44-,45-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57+,58-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+,69-,70-,72-,73-,74-,75-/m0/s1 |
| InChIKey | PBOKTYWXRURPFG-JGEKNRALSA-N |
| Mol Weight | 1363.9 g/mol |
| Molecular Formula | C76H130O20 |
| Exact Mass | 1362.915547 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H1ZVMGLdCkI |
|---|---|
| Name | HURGHADOLIDE_A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H130O20 |
| InChI | InChI=1S/C76H130O20/c1-43-23-28-55(77)35-57-19-17-21-59(93-57)39-70(90-16)50(8)66(80)42-68(82)52(10)75(54(12)73(85)45(3)27-31-62-38-64(88-14)34-48(6)92-62)96-76(86)46(4)25-29-56(78)36-58-20-18-22-60(94-58)40-69(89-15)49(7)65(79)41-67(81)51(9)74(95-71(83)32-24-43)53(11)72(84)44(2)26-30-61-37-63(87-13)33-47(5)91-61/h17-20,23-25,32,44-45,47-70,72-75,77-82,84-85H,21-22,26-31,33-42H2,1-16H3/b32-24+,43-23+,46-25+/t44-,45-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57+,58-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+,69-,70-,72-,73-,74-,75-/m0/s1 |
| InChIKey | PBOKTYWXRURPFG-JGEKNRALSA-N |
| Literature Reference Author | D.T.A.YOUSSEF,S.L.MOOBERRY |
| Literature Reference Citation | J.NAT.PROD.,69,154(2006) |
| Literature Reference DOI | 10.1021/np050404a |
| Molecular Weight | 1363.856 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ16432 |