| SpectraBase Compound ID | Kq7PAi0e2kK |
|---|---|
| InChI | InChI=1S/C68H108O26/c1-9-12-14-18-26-32-45(70)87-56-40(7)82-65(54(79)58(56)88-47(72)35-34-42-28-23-21-24-29-42)92-57-41(8)84-68(62(90-63(80)37(4)11-3)61(57)94-64-52(77)50(75)49(74)44(36-69)86-64)91-55-39(6)83-67-60(53(55)78)89-46(71)33-27-20-17-15-16-19-25-31-43(30-22-13-10-2)85-66-59(93-67)51(76)48(73)38(5)81-66/h21,23-24,28-29,34-35,37-41,43-44,48-62,64-69,73-79H,9-20,22,25-27,30-33,36H2,1-8H3/b35-34+/t37-,38-,39+,40+,41+,43+,44-,48+,49-,50+,51+,52-,53-,54-,55+,56+,57+,58+,59-,60-,61-,62-,64+,65+,66+,67+,68+/m0/s1 |
| InChIKey | BUYIJNOHPZLGIG-XRTLTMBRSA-N |
| Mol Weight | 1341.6 g/mol |
| Molecular Formula | C68H108O26 |
| Exact Mass | 1340.712884 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ddQU0x5Ig5 |
|---|---|
| Name | INTRAPILOSIN_II |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H108O26 |
| InChI | InChI=1S/C68H108O26/c1-9-12-14-18-26-32-45(70)87-56-40(7)82-65(54(79)58(56)88-47(72)35-34-42-28-23-21-24-29-42)92-57-41(8)84-68(62(90-63(80)37(4)11-3)61(57)94-64-52(77)50(75)49(74)44(36-69)86-64)91-55-39(6)83-67-60(53(55)78)89-46(71)33-27-20-17-15-16-19-25-31-43(30-22-13-10-2)85-66-59(93-67)51(76)48(73)38(5)81-66/h21,23-24,28-29,34-35,37-41,43-44,48-62,64-69,73-79H,9-20,22,25-27,30-33,36H2,1-8H3/b35-34+/t37-,38-,39+,40+,41+,43+,44-,48+,49-,50+,51+,52-,53-,54-,55+,56+,57+,58+,59-,60-,61-,62-,64+,65+,66+,67+,68+/m0/s1 |
| InChIKey | BUYIJNOHPZLGIG-XRTLTMBRSA-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 | 1341.590 g/mol |
| Sample ID | 30619 |
| Solvent | C5D5N |