| SpectraBase Compound ID | KgF2e7e98Yk |
|---|---|
| InChI | InChI=1S/C64H111N11O20/c1-15-17-18-19-20-21-39(78)27-49(79)65-40(22-32(3)4)54(83)69-45(28-50(80)81)59(88)75-53-38(14)95-51(82)29-46(64(93)94)71-62(91)52(37(13)16-2)74-58(87)44(26-36(11)12)68-61(90)48(31-77)73-57(86)42(24-34(7)8)67-60(89)47(30-76)72-56(85)41(23-33(5)6)66-55(84)43(25-35(9)10)70-63(53)92/h32-48,52-53,76-78H,15-31H2,1-14H3,(H,65,79)(H,66,84)(H,67,89)(H,68,90)(H,69,83)(H,70,92)(H,71,91)(H,72,85)(H,73,86)(H,74,87)(H,75,88)(H,80,81)(H,93,94)/t37?,38-,39?,40-,41-,42+,43-,44-,45+,46+,47+,48-,52+,53+/m1/s1 |
| InChIKey | FIDWFJZZQLPPLI-SAHCAFQNSA-N |
| Mol Weight | 1354.6 g/mol |
| Molecular Formula | C64H111N11O20 |
| Exact Mass | 1353.800685 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5d8iTxBQkhH |
|---|---|
| Name | PHOLIPEPTIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H111N11O20 |
| InChI | InChI=1S/C64H111N11O20/c1-15-17-18-19-20-21-39(78)27-49(79)65-40(22-32(3)4)54(83)69-45(28-50(80)81)59(88)75-53-38(14)95-51(82)29-46(64(93)94)71-62(91)52(37(13)16-2)74-58(87)44(26-36(11)12)68-61(90)48(31-77)73-57(86)42(24-34(7)8)67-60(89)47(30-76)72-56(85)41(23-33(5)6)66-55(84)43(25-35(9)10)70-63(53)92/h32-48,52-53,76-78H,15-31H2,1-14H3,(H,65,79)(H,66,84)(H,67,89)(H,68,90)(H,69,83)(H,70,92)(H,71,91)(H,72,85)(H,73,86)(H,74,87)(H,75,88)(H,80,81)(H,93,94)/t37?,38-,39?,40-,41-,42+,43-,44-,45+,46+,47+,48-,52+,53+/m1/s1 |
| InChIKey | FIDWFJZZQLPPLI-SAHCAFQNSA-N |
| Literature Reference Author | H.UI,T.MIYAKE,H.IINUMA,M.IMOTO,H.NAGANAWA,S.HATTORI,M.HAMADA ,T.TAKEUCHI,S.UMEZAW |
| Literature Reference Citation | J.ORG.CHEM.,62,103(1997) |
| Literature Reference DOI | 10.1021/jo9603993 |
| Molecular Weight | 1354.647 g/mol |
| Solvent | DMSO-D6;PH=4;C=0.02M |
| Source File Reference | UWCS23117 |