| SpectraBase Compound ID | GxbzslICZMh |
|---|---|
| InChI | InChI=1S/C68H123ClO24/c1-40(22-18-30-48(75)60(85)58(83)41(2)31-33-50(77)57(82)43(4)36-46(73)27-20-25-44(71)23-19-24-45(72)26-21-28-47(74)39-70)56(81)52(79)37-55-64(89)65(90)66(91)67(92-55)51(78)34-32-42(3)59(84)63(88)54-38-53(80)62(87)68(93-54)61(86)49(76)29-16-14-12-10-8-6-5-7-9-11-13-15-17-35-69/h13,15-17,21,26,29,35,40-41,43-68,70-91H,3,5-12,14,18-20,22-25,27-28,30-34,36-39H2,1-2,4H3/b15-13+,26-21+,29-16+,35-17+ |
| InChIKey | RXBCYWZWCKIJBH-DBBKABBASA-N |
| Mol Weight | 1360.2 g/mol |
| Molecular Formula | C68H123ClO24 |
| Exact Mass | 1358.809283 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6A8Isy0KtI7 |
|---|---|
| Name | 64-(E)-CHLORO-KMTX_3 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H123ClO24 |
| InChI | InChI=1S/C68H123ClO24/c1-40(22-18-30-48(75)60(85)58(83)41(2)31-33-50(77)57(82)43(4)36-46(73)27-20-25-44(71)23-19-24-45(72)26-21-28-47(74)39-70)56(81)52(79)37-55-64(89)65(90)66(91)67(92-55)51(78)34-32-42(3)59(84)63(88)54-38-53(80)62(87)68(93-54)61(86)49(76)29-16-14-12-10-8-6-5-7-9-11-13-15-17-35-69/h13,15-17,21,26,29,35,40-41,43-68,70-91H,3,5-12,14,18-20,22-25,27-28,30-34,36-39H2,1-2,4H3/b15-13+,26-21+,29-16+,35-17+ |
| InChIKey | RXBCYWZWCKIJBH-DBBKABBASA-N |
| Literature Reference Author | R.M.V.WAGONER,J.R.DEEDS,A.O.TATTERS,A.R.PLACE,C.R.TOMAS,J.L. C.WRIGHT |
| Literature Reference Citation | J.NAT.PROD.,73,1360(2010) |
| Literature Reference DOI | 10.1021/np100158r |
| Molecular Weight | 1360.163 g/mol |
| Sample ID | 36540 |
| Solvent | C5D5N:CD3OD=1:2 |