| SpectraBase Compound ID | KYJhHbQ8gej |
|---|---|
| InChI | InChI=1S/C39H60O10S2/c1-19(2)25(17-31-50-14-15-51-31)16-28(44)20(3)27-18-29(45)33-32-26(10-12-39(27,33)9)38(8)13-11-30(46-21(4)40)35(47-22(5)41)34(38)37(49-24(7)43)36(32)48-23(6)42/h19-20,25-28,30-37,44H,10-18H2,1-9H3/t20-,25+,26?,27+,28-,30+,32+,33+,34+,35-,36+,37+,38+,39+/m0/s1 |
| InChIKey | BAKKRSMMCGHZKN-YMOLBTHCSA-N |
| Mol Weight | 753.0 g/mol |
| Molecular Formula | C39H60O10S2 |
| Exact Mass | 752.36279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Ocmvo7Wpat |
|---|---|
| Name | DITHIANE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H60O10S2 |
| InChI | InChI=1S/C39H60O10S2/c1-19(2)25(17-31-50-14-15-51-31)16-28(44)20(3)27-18-29(45)33-32-26(10-12-39(27,33)9)38(8)13-11-30(46-21(4)40)35(47-22(5)41)34(38)37(49-24(7)43)36(32)48-23(6)42/h19-20,25-28,30-37,44H,10-18H2,1-9H3/t20-,25+,26?,27+,28-,30+,32+,33+,34+,35-,36+,37+,38+,39+/m0/s1 |
| InChIKey | BAKKRSMMCGHZKN-YMOLBTHCSA-N |
| Literature Reference Author | L.YANG,R.J.ANDERSEN |
| Literature Reference Citation | J.NAT.PROD.,65,1924(2002) |
| Literature Reference DOI | 10.1021/np020297+ |
| Molecular Weight | 753.019 g/mol |
| Solvent | CD2Cl2 |
| Source File Reference | UWSI16593 |