| SpectraBase Compound ID | 957sh6YwECK |
|---|---|
| InChI | InChI=1S/C66H110N14O18/c1-32(2)47-63(95)77(18)44(31-82)61(93)78(19)52(37(11)12)58(90)69-42(30-81)56(88)72-50(35(7)8)64(96)76(17)43(27-41-25-23-22-24-26-41)57(89)68-29-46(86)71-48(33(3)4)65(97)79(20)53(39(14)83)60(92)74-51(36(9)10)66(98)80(21)54(40(15)84)59(91)73-49(34(5)6)62(94)75(16)38(13)55(87)67-28-45(85)70-47/h22-26,32-40,42-44,47-54,81-84H,27-31H2,1-21H3,(H,67,87)(H,68,89)(H,69,90)(H,70,85)(H,71,86)(H,72,88)(H,73,91)(H,74,92)/t38-,39?,40?,42+,43-,44+,47+,48+,49+,50+,51+,52+,53+,54+/m1/s1 |
| InChIKey | HRWLTBUENCFLGG-QHCIBDNUSA-N |
| Mol Weight | 1387.7 g/mol |
| Molecular Formula | C66H110N14O18 |
| Exact Mass | 1386.812253 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9PtI0Eb3Zxm |
|---|---|
| Name | VERRUCAMIDE_D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H110N14O18 |
| InChI | InChI=1S/C66H110N14O18/c1-32(2)47-63(95)77(18)44(31-82)61(93)78(19)52(37(11)12)58(90)69-42(30-81)56(88)72-50(35(7)8)64(96)76(17)43(27-41-25-23-22-24-26-41)57(89)68-29-46(86)71-48(33(3)4)65(97)79(20)53(39(14)83)60(92)74-51(36(9)10)66(98)80(21)54(40(15)84)59(91)73-49(34(5)6)62(94)75(16)38(13)55(87)67-28-45(85)70-47/h22-26,32-40,42-44,47-54,81-84H,27-31H2,1-21H3,(H,67,87)(H,68,89)(H,69,90)(H,70,85)(H,71,86)(H,72,88)(H,73,91)(H,74,92)/t38-,39?,40?,42+,43-,44+,47+,48+,49+,50+,51+,52+,53+,54+/m1/s1 |
| InChIKey | HRWLTBUENCFLGG-QHCIBDNUSA-N |
| Literature Reference Author | X.ZOU,S.NIU,J.REI,E.LI,X.LIU,Y.CHE |
| Literature Reference Citation | J.NAT.PROD.,74,1111(2011) |
| Literature Reference DOI | 10.1021/np200050r |
| Molecular Weight | 1387.682 g/mol |
| Sample ID | 38175 |
| Solvent | DMSO-D6 |