| SpectraBase Compound ID | HCg3OT4rwzI |
|---|---|
| InChI | InChI=1S/C72H114O27/c1-34-26-48(77-12)59(75)67(85-34)93-44-20-23-69(10)43(27-44)18-19-45-46(69)21-24-70(11)47(45)22-25-71(70,76)41(8)91-54-31-52-64(39(6)89-54)99-72(84-33-83-52)32-53(81-16)63(40(7)98-72)96-57-29-50(79-14)61(37(4)87-57)94-55-28-49(78-13)60(36(3)86-55)95-56-30-51(80-15)62(38(5)88-56)97-68-66(92-42(9)73)65(82-17)58(74)35(2)90-68/h18,26,34-41,44-47,49-58,60-68,74,76H,19-25,27-33H2,1-17H3/t34-,35+,36+,37-,38-,39+,40+,41+,44+,45-,46+,47+,49-,50+,51+,52+,53-,54-,55-,56+,57+,58-,60+,61-,62-,63+,64+,65-,66+,67+,68-,69+,70+,71+,72-/m1/s1 |
| InChIKey | SRHLMPMVONOECX-WIORMTOYSA-N |
| Mol Weight | 1411.7 g/mol |
| Molecular Formula | C72H114O27 |
| Exact Mass | 1410.754748 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B3TJjjH8wLz |
|---|---|
| Name | PERIPLOSIDE-C |
| CAS Registry Number | 110764-05-1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H114O27 |
| InChI | InChI=1S/C72H114O27/c1-34-26-48(77-12)59(75)67(85-34)93-44-20-23-69(10)43(27-44)18-19-45-46(69)21-24-70(11)47(45)22-25-71(70,76)41(8)91-54-31-52-64(39(6)89-54)99-72(84-33-83-52)32-53(81-16)63(40(7)98-72)96-57-29-50(79-14)61(37(4)87-57)94-55-28-49(78-13)60(36(3)86-55)95-56-30-51(80-15)62(38(5)88-56)97-68-66(92-42(9)73)65(82-17)58(74)35(2)90-68/h18,26,34-41,44-47,49-58,60-68,74,76H,19-25,27-33H2,1-17H3/t34-,35+,36+,37-,38-,39+,40+,41+,44+,45-,46+,47+,49-,50+,51+,52+,53-,54-,55-,56+,57+,58-,60+,61-,62-,63+,64+,65-,66+,67+,68-,69+,70+,71+,72-/m1/s1 |
| InChIKey | SRHLMPMVONOECX-WIORMTOYSA-N |
| Literature Reference Author | Y.OSHIMA,T.HIROTA,H.HIKINO |
| Literature Reference Citation | HETEROCYCLES,26,2093(1987) |
| Literature Reference DOI | 10.3987/R-1987-08-2093 |
| Molecular Weight | 1411.681 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED5096 |