| SpectraBase Compound ID | FwOQOQC5hVf |
|---|---|
| InChI | InChI=1S/C67H104O31/c1-16-18-19-20-21-24-27-31-48(32-28-25-22-23-26-30-35(3)68)93-66-62(58(90-45(13)76)54(86-41(9)72)49(94-66)33-80-38(6)69)98-67-63(97-65-61(92-47(15)78)57(89-44(12)75)53(37(5)83-65)85-40(8)71)59(96-51(79)29-17-2)55(87-42(10)73)50(95-67)34-81-64-60(91-46(14)77)56(88-43(11)74)52(36(4)82-64)84-39(7)70/h36-37,48-50,52-67H,16-34H2,1-15H3/t36-,37-,48-,49+,50-,52+,53-,54+,55-,56+,57+,58-,59+,60+,61-,62+,63-,64-,65-,66+,67+/m0/s1 |
| InChIKey | LBLAFCFYJSNSQI-ZGPCAUQWSA-N |
| Mol Weight | 1405.5 g/mol |
| Molecular Formula | C67H104O31 |
| Exact Mass | 1404.656157 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6R6kwlVkJHe |
|---|---|
| Name | CAMINOSIDE_A_PERACETATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C67H104O31 |
| InChI | InChI=1S/C67H104O31/c1-16-18-19-20-21-24-27-31-48(32-28-25-22-23-26-30-35(3)68)93-66-62(58(90-45(13)76)54(86-41(9)72)49(94-66)33-80-38(6)69)98-67-63(97-65-61(92-47(15)78)57(89-44(12)75)53(37(5)83-65)85-40(8)71)59(96-51(79)29-17-2)55(87-42(10)73)50(95-67)34-81-64-60(91-46(14)77)56(88-43(11)74)52(36(4)82-64)84-39(7)70/h36-37,48-50,52-67H,16-34H2,1-15H3/t36-,37-,48-,49+,50-,52+,53-,54+,55-,56+,57+,58-,59+,60+,61-,62+,63-,64-,65-,66+,67+/m0/s1 |
| InChIKey | LBLAFCFYJSNSQI-ZGPCAUQWSA-N |
| Literature Reference Author | R.G.LININGTON,M.ROBERTSON,A.GAUTHIER,B.B.FINLAY,J.B.MACMILLA N,T.F.MOLINSKI,R.VAN |
| Literature Reference Citation | J.NAT.PROD.,69,173(2006) |
| Literature Reference DOI | 10.1021/np050192h |
| Molecular Weight | 1405.544 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWMZ18014 |