| SpectraBase Compound ID | 4U4uSgJWsq7 |
|---|---|
| InChI | InChI=1S/C67H112N14O18/c1-22-38(12)53-59(91)70-43(31-82)57(89)73-51(36(8)9)65(97)77(17)44(28-42-26-24-23-25-27-42)58(90)69-30-47(87)72-49(34(4)5)66(98)80(20)54(40(14)84)61(93)75-52(37(10)11)67(99)81(21)55(41(15)85)60(92)74-50(35(6)7)63(95)76(16)39(13)56(88)68-29-46(86)71-48(33(2)3)64(96)78(18)45(32-83)62(94)79(53)19/h23-27,33-41,43-45,48-55,82-85H,22,28-32H2,1-21H3,(H,68,88)(H,69,90)(H,70,91)(H,71,86)(H,72,87)(H,73,89)(H,74,92)(H,75,93)/t38?,39-,40?,41?,43+,44-,45+,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1 |
| InChIKey | ICVVLVATMXICEO-VNNKLTEMSA-N |
| Mol Weight | 1401.7 g/mol |
| Molecular Formula | C67H112N14O18 |
| Exact Mass | 1400.827903 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9IZrJd0D3te |
|---|---|
| Name | VERRUCAMIDE_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C67H112N14O18 |
| InChI | InChI=1S/C67H112N14O18/c1-22-38(12)53-59(91)70-43(31-82)57(89)73-51(36(8)9)65(97)77(17)44(28-42-26-24-23-25-27-42)58(90)69-30-47(87)72-49(34(4)5)66(98)80(20)54(40(14)84)61(93)75-52(37(10)11)67(99)81(21)55(41(15)85)60(92)74-50(35(6)7)63(95)76(16)39(13)56(88)68-29-46(86)71-48(33(2)3)64(96)78(18)45(32-83)62(94)79(53)19/h23-27,33-41,43-45,48-55,82-85H,22,28-32H2,1-21H3,(H,68,88)(H,69,90)(H,70,91)(H,71,86)(H,72,87)(H,73,89)(H,74,92)(H,75,93)/t38?,39-,40?,41?,43+,44-,45+,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1 |
| InChIKey | ICVVLVATMXICEO-VNNKLTEMSA-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 | 1401.709 g/mol |
| Sample ID | 38174 |
| Solvent | DMSO-D6 |