| SpectraBase Compound ID | 1zmQrSf0n20 |
|---|---|
| InChI | InChI=1S/C69H108O31/c1-16-19-20-21-22-25-28-33-49(34-29-26-23-24-27-32-37(4)70)94-68-64(60(91-46(13)77)56(88-43(10)74)50(95-68)35-82-40(7)71)100-69-65(99-67-63(93-48(15)79)59(90-45(12)76)55(39(6)85-67)87-42(9)73)61(98-53(81)31-18-3)57(97-52(80)30-17-2)51(96-69)36-83-66-62(92-47(14)78)58(89-44(11)75)54(38(5)84-66)86-41(8)72/h38-39,49-51,54-69H,16-36H2,1-15H3/t38-,39+,49-,50+,51+,54+,55+,56+,57+,58+,59-,60-,61-,62+,63+,64+,65+,66-,67+,68+,69-/m1/s1 |
| InChIKey | WWIQSVBDHKKBNY-NDCXMNRWSA-N |
| Mol Weight | 1433.6 g/mol |
| Molecular Formula | C69H108O31 |
| Exact Mass | 1432.687457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I4YLDgQ6PWN |
|---|---|
| Name | CAMINOSIDE_B_PERACETATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H108O31 |
| InChI | InChI=1S/C69H108O31/c1-16-19-20-21-22-25-28-33-49(34-29-26-23-24-27-32-37(4)70)94-68-64(60(91-46(13)77)56(88-43(10)74)50(95-68)35-82-40(7)71)100-69-65(99-67-63(93-48(15)79)59(90-45(12)76)55(39(6)85-67)87-42(9)73)61(98-53(81)31-18-3)57(97-52(80)30-17-2)51(96-69)36-83-66-62(92-47(14)78)58(89-44(11)75)54(38(5)84-66)86-41(8)72/h38-39,49-51,54-69H,16-36H2,1-15H3/t38-,39+,49-,50+,51+,54+,55+,56+,57+,58+,59-,60-,61-,62+,63+,64+,65+,66-,67+,68+,69-/m1/s1 |
| InChIKey | WWIQSVBDHKKBNY-NDCXMNRWSA-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 | 1433.598 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWMZ18015 |