| SpectraBase Compound ID | A8ltBVLaZB5 |
|---|---|
| InChI | InChI=1S/C72H102O32/c1-31-19-24-72(87-27-31)32(2)54-50(104-72)26-49-47-18-17-45-25-46(20-22-70(45,15)48(47)21-23-71(49,54)16)98-68-65(103-67-63(96-43(13)82)59(93-40(10)79)55(33(3)88-67)90-37(7)76)60(94-41(11)80)57(53(99-68)29-85-35(5)74)101-69-64(97-44(14)83)61(56(91-38(8)77)52(100-69)28-84-34(4)73)102-66-62(95-42(12)81)58(92-39(9)78)51(30-86-66)89-36(6)75/h17,31-33,46-69H,18-30H2,1-16H3/t31-,32-,33+,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-,72+/m0/s1 |
| InChIKey | OUPFZXOPHJCKBO-WHTJVJMYSA-N |
| Mol Weight | 1479.6 g/mol |
| Molecular Formula | C72H102O32 |
| Exact Mass | 1478.635421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FVMiRvRneqY |
|---|---|
| Name | BALANITIN-7-UNDECAACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H102O32 |
| InChI | InChI=1S/C72H102O32/c1-31-19-24-72(87-27-31)32(2)54-50(104-72)26-49-47-18-17-45-25-46(20-22-70(45,15)48(47)21-23-71(49,54)16)98-68-65(103-67-63(96-43(13)82)59(93-40(10)79)55(33(3)88-67)90-37(7)76)60(94-41(11)80)57(53(99-68)29-85-35(5)74)101-69-64(97-44(14)83)61(56(91-38(8)77)52(100-69)28-84-34(4)73)102-66-62(95-42(12)81)58(92-39(9)78)51(30-86-66)89-36(6)75/h17,31-33,46-69H,18-30H2,1-16H3/t31-,32-,33+,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-,72+/m0/s1 |
| InChIKey | OUPFZXOPHJCKBO-WHTJVJMYSA-N |
| Literature Reference Author | G.R.PETTIT,D.L.DOUBEK,D.L.HERALD,A.NUMATA,C.TAKAHASHI,R.FUJI KI,T.MIYAMOTO |
| Literature Reference Citation | J.NAT.PROD.,54,1491(1991) |
| Literature Reference DOI | 10.1021/np50078a002 |
| Molecular Weight | 1479.583 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWED18161 |