| SpectraBase Compound ID | IlKRrDgHPgo |
|---|---|
| InChI | InChI=1S/C75H106O34/c1-32-20-25-75(91-28-32)33(2)56-52(109-75)27-51-49-19-18-47-26-48(21-23-73(47,16)50(49)22-24-74(51,56)17)102-70-68(108-69-65(99-44(13)85)61(96-41(10)82)57(34(3)92-69)93-38(7)79)63(98-43(12)84)60(55(103-70)31-90-37(6)78)106-71-67(101-46(15)87)64(59(95-40(9)81)54(104-71)30-89-36(5)77)107-72-66(100-45(14)86)62(97-42(11)83)58(94-39(8)80)53(105-72)29-88-35(4)76/h18,32-34,48-72H,19-31H2,1-17H3/t32-,33+,34-,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-,73+,74+,75-/m1/s1 |
| InChIKey | IRTPAGDQHWZAMC-RASCQXLMSA-N |
| Mol Weight | 1551.6 g/mol |
| Molecular Formula | C75H106O34 |
| Exact Mass | 1550.65655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 62LaL1bdoY0 |
|---|---|
| Name | BALANITIN-4-DODECAACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C75H106O34 |
| InChI | InChI=1S/C75H106O34/c1-32-20-25-75(91-28-32)33(2)56-52(109-75)27-51-49-19-18-47-26-48(21-23-73(47,16)50(49)22-24-74(51,56)17)102-70-68(108-69-65(99-44(13)85)61(96-41(10)82)57(34(3)92-69)93-38(7)79)63(98-43(12)84)60(55(103-70)31-90-37(6)78)106-71-67(101-46(15)87)64(59(95-40(9)81)54(104-71)30-89-36(5)77)107-72-66(100-45(14)86)62(97-42(11)83)58(94-39(8)80)53(105-72)29-88-35(4)76/h18,32-34,48-72H,19-31H2,1-17H3/t32-,33+,34-,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-,73+,74+,75-/m1/s1 |
| InChIKey | IRTPAGDQHWZAMC-RASCQXLMSA-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 | 1551.646 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWED18159 |