| SpectraBase Compound ID | 1KB9Xgwlo4E |
|---|---|
| InChI | InChI=1S/C75H122O26/c1-8-11-14-16-17-18-21-25-34-41-54(79)97-70-69(101-71-60(85)58(83)57(82)51(44-76)93-71)65(99-72-62(87)66(95-55(80)43-42-49-35-29-27-30-36-49)64(47(6)89-72)94-52(77)39-32-23-15-12-9-2)48(7)91-75(70)98-63-46(5)90-74-68(61(63)86)96-53(78)40-33-26-22-19-20-24-31-38-50(37-28-13-10-3)92-73-67(100-74)59(84)56(81)45(4)88-73/h27,29-30,35-36,42-43,45-48,50-51,56-76,81-87H,8-26,28,31-34,37-41,44H2,1-7H3/b43-42+/t45-,46+,47+,48+,50+,51-,56+,57-,58+,59+,60-,61-,62-,63+,64+,65+,66+,67-,68-,69-,70-,71+,72+,73+,74+,75+/m0/s1 |
| InChIKey | IVMMSJHGYZIPPO-GMXWRAITSA-N |
| Mol Weight | 1439.8 g/mol |
| Molecular Formula | C75H122O26 |
| Exact Mass | 1438.822434 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6SViKNAovmW |
|---|---|
| Name | INTRAPILOSIN_VII |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C75H122O26 |
| InChI | InChI=1S/C75H122O26/c1-8-11-14-16-17-18-21-25-34-41-54(79)97-70-69(101-71-60(85)58(83)57(82)51(44-76)93-71)65(99-72-62(87)66(95-55(80)43-42-49-35-29-27-30-36-49)64(47(6)89-72)94-52(77)39-32-23-15-12-9-2)48(7)91-75(70)98-63-46(5)90-74-68(61(63)86)96-53(78)40-33-26-22-19-20-24-31-38-50(37-28-13-10-3)92-73-67(100-74)59(84)56(81)45(4)88-73/h27,29-30,35-36,42-43,45-48,50-51,56-76,81-87H,8-26,28,31-34,37-41,44H2,1-7H3/b43-42+/t45-,46+,47+,48+,50+,51-,56+,57-,58+,59+,60-,61-,62-,63+,64+,65+,66+,67-,68-,69-,70-,71+,72+,73+,74+,75+/m0/s1 |
| InChIKey | IVMMSJHGYZIPPO-GMXWRAITSA-N |
| Literature Reference Author | M.BAH,L.CHERIGO,A.T.C.TAKETA,M.FRAGOSO-SERRANO,G.B.HAMMOND,R .PEREDA-MIRANDA |
| Literature Reference Citation | J.NAT.PROD.,70,1153(2007) |
| Literature Reference DOI | 10.1021/np0701529 |
| Molecular Weight | 1439.778 g/mol |
| Sample ID | 30624 |
| Solvent | C5D5N |