| SpectraBase Compound ID | DqVl59cKVR2 |
|---|---|
| InChI | InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-31-10(3-45)65-37(23(58)17(31)52)73-32-11(4-46)66-38(24(59)18(32)53)74-33-12(5-47)67-39(25(60)19(33)54)75-34-13(6-48)68-40(26(61)20(34)55)76-35-14(7-49)70-42(28(63)21(35)56)77-41-27(62)16(51)30(71-29)9(2-44)69-41/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26+,27+,28+,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1 |
| InChIKey | SCTQPEUPJRIXEU-FWYGNWHCSA-N |
| Mol Weight | 1135.0 g/mol |
| Molecular Formula | C42H70O35 |
| Exact Mass | 1134.369764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G6qErc6YOM |
|---|---|
| Name | BETA-CYCLOMANNIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H70O35 |
| InChI | InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-31-10(3-45)65-37(23(58)17(31)52)73-32-11(4-46)66-38(24(59)18(32)53)74-33-12(5-47)67-39(25(60)19(33)54)75-34-13(6-48)68-40(26(61)20(34)55)76-35-14(7-49)70-42(28(63)21(35)56)77-41-27(62)16(51)30(71-29)9(2-44)69-41/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26+,27+,28+,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1 |
| InChIKey | SCTQPEUPJRIXEU-FWYGNWHCSA-N |
| Literature Reference Author | M.FUKUDOME,T.SHIRATANI,Y.NOGAMI,D.Q.YUAN,K.FUJITA |
| Literature Reference Citation | ORG.LETTERS,8,5733(2006) |
| Literature Reference DOI | 10.1021/ol062239b |
| Molecular Weight | 1134.997 g/mol |
| Sample ID | 59721 |
| Solvent | D2O |