| SpectraBase Compound ID | LCyjQWl2rK8 |
|---|---|
| InChI | InChI=1S/C65H115N13O20/c1-16-18-19-20-21-22-38-26-45(85)71-46(31(5)6)58(91)76-50(53(86)32(7)8)61(94)67-35(12)55(88)75-51(54(87)33(9)10)62(95)69-40(23-24-44(66)84)64(97)77(15)52(34(11)17-2)63(96)74-49(43(83)29-79)60(93)73-48(37(14)81)65(98)78-28-39(82)27-42(78)57(90)70-41(25-30(3)4)56(89)72-47(36(13)80)59(92)68-38/h30-43,46-54,79-83,86-87H,16-29H2,1-15H3,(H2,66,84)(H,67,94)(H,68,92)(H,69,95)(H,70,90)(H,71,85)(H,72,89)(H,73,93)(H,74,96)(H,75,88)(H,76,91)/t34?,35-,36-,37-,38+,39+,40+,41-,42-,43-,46-,47+,48-,49+,50-,51+,52-,53-,54+/m0/s1 |
| InChIKey | HUGDRGVGWFSHET-DLCXDKSLSA-N |
| Mol Weight | 1398.7 g/mol |
| Molecular Formula | C65H115N13O20 |
| Exact Mass | 1397.838133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F4Md2mYqpg6 |
|---|---|
| Name | LOBOCYCLAMIDE-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H115N13O20 |
| InChI | InChI=1S/C65H115N13O20/c1-16-18-19-20-21-22-38-26-45(85)71-46(31(5)6)58(91)76-50(53(86)32(7)8)61(94)67-35(12)55(88)75-51(54(87)33(9)10)62(95)69-40(23-24-44(66)84)64(97)77(15)52(34(11)17-2)63(96)74-49(43(83)29-79)60(93)73-48(37(14)81)65(98)78-28-39(82)27-42(78)57(90)70-41(25-30(3)4)56(89)72-47(36(13)80)59(92)68-38/h30-43,46-54,79-83,86-87H,16-29H2,1-15H3,(H2,66,84)(H,67,94)(H,68,92)(H,69,95)(H,70,90)(H,71,85)(H,72,89)(H,73,93)(H,74,96)(H,75,88)(H,76,91)/t34?,35-,36-,37-,38+,39+,40+,41-,42-,43-,46-,47+,48-,49+,50-,51+,52-,53-,54+/m0/s1 |
| InChIKey | HUGDRGVGWFSHET-DLCXDKSLSA-N |
| Literature Reference Author | J.B.MACMILLAN,M.A.ERNST-RUSSELL,J.S.D.ROPP,T.F.MOLINSKI |
| Literature Reference Citation | J.ORG.CHEM.,67,8210(2002) |
| Literature Reference DOI | 10.1021/jo0261909 |
| Molecular Weight | 1398.703 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS24737 |