| SpectraBase Compound ID | Emj9ui6q6SR |
|---|---|
| InChI | InChI=1S/C59H66O34/c1-22-46(79-27(6)64)51(82-30(9)67)54(85-33(12)70)57(76-22)88-37-18-40(78-26(5)63)44-41(19-37)89-47(50(45(44)73)93-59-56(87-35(14)72)53(84-32(11)69)49(81-29(8)66)43(92-59)21-75-24(3)61)36-15-16-38(39(17-36)77-25(4)62)90-58-55(86-34(13)71)52(83-31(10)68)48(80-28(7)65)42(91-58)20-74-23(2)60/h15-19,22,42-43,46,48-49,51-59H,20-21H2,1-14H3/t22-,42+,43-,46-,48+,49-,51+,52-,53+,54+,55+,56-,57-,58+,59+/m0/s1 |
| InChIKey | NXRNEEQSHPHGOF-GTBLEZPSSA-N |
| Mol Weight | 1319.1 g/mol |
| Molecular Formula | C59H66O34 |
| Exact Mass | 1318.343549 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Flzn5pb0oFp |
|---|---|
| Name | MORICANDIN_PERACETATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H66O34 |
| InChI | InChI=1S/C59H66O34/c1-22-46(79-27(6)64)51(82-30(9)67)54(85-33(12)70)57(76-22)88-37-18-40(78-26(5)63)44-41(19-37)89-47(50(45(44)73)93-59-56(87-35(14)72)53(84-32(11)69)49(81-29(8)66)43(92-59)21-75-24(3)61)36-15-16-38(39(17-36)77-25(4)62)90-58-55(86-34(13)71)52(83-31(10)68)48(80-28(7)65)42(91-58)20-74-23(2)60/h15-19,22,42-43,46,48-49,51-59H,20-21H2,1-14H3/t22-,42+,43-,46-,48+,49-,51+,52-,53+,54+,55+,56-,57-,58+,59+/m0/s1 |
| InChIKey | NXRNEEQSHPHGOF-GTBLEZPSSA-N |
| Literature Reference Author | H.BRAHAM,Z.MIGHRI,H.B.JANNET,S.MATTHEW,P.M.ABREU |
| Literature Reference Citation | J.NAT.PROD.,68,517(2005) |
| Literature Reference DOI | 10.1021/np049581m |
| Molecular Weight | 1319.153 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ9609 |