| SpectraBase Compound ID | KS4NsI0Ax5H |
|---|---|
| InChI | InChI=1S/C54H92O23/c1-11-13-19-22-33-23-20-17-15-14-16-18-21-24-35(56)72-46-43(75-51-41(62)40(61)42(31(9)68-51)73-48(63)26(3)4)32(10)69-54(47(46)74-49(64)27(5)12-2)77-45-39(60)37(58)34(25-66-50(65)28(6)29(7)55)71-53(45)76-44-38(59)36(57)30(8)67-52(44)70-33/h26-34,36-47,51-55,57-62H,11-25H2,1-10H3/t27?,28?,29?,30-,31+,32-,33?,34+,36-,37+,38+,39-,40+,41+,42+,43-,44-,45+,46+,47+,51-,52+,53-,54-/m0/s1 |
| InChIKey | QQBYUMFKIFWDOP-GEGSCVGASA-N |
| Mol Weight | 1109.3 g/mol |
| Molecular Formula | C54H92O23 |
| Exact Mass | 1108.602939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HLPXjoxXLDO |
|---|---|
| Name | QQBYUMFKIFWDOP-GEGSCVGASA-N |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H92O23 |
| InChI | InChI=1S/C54H92O23/c1-11-13-19-22-33-23-20-17-15-14-16-18-21-24-35(56)72-46-43(75-51-41(62)40(61)42(31(9)68-51)73-48(63)26(3)4)32(10)69-54(47(46)74-49(64)27(5)12-2)77-45-39(60)37(58)34(25-66-50(65)28(6)29(7)55)71-53(45)76-44-38(59)36(57)30(8)67-52(44)70-33/h26-34,36-47,51-55,57-62H,11-25H2,1-10H3/t27?,28?,29?,30-,31+,32-,33?,34+,36-,37+,38+,39-,40+,41+,42+,43-,44-,45+,46+,47+,51-,52+,53-,54-/m0/s1 |
| InChIKey | QQBYUMFKIFWDOP-GEGSCVGASA-N |
| Literature Reference Author | W.F.REYNOLDS,M.YU,R.G.ENRIQUEZ,H.GONZALEZ,I.LEON,G.MAGOS,M.L .VILLAREAL |
| Literature Reference Citation | J.NAT.PROD.,58,1730(1995) |
| Literature Reference DOI | 10.1021/np50125a014 |
| Molecular Weight | 1109.311 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWCS23372 |