| SpectraBase Compound ID | FmzEolaDOW2 |
|---|---|
| InChI | InChI=1S/C34H56O11S2/c1-8-12-34-41-26-15-24-22-10-9-21-14-25(43-46(35,36)37)27(44-47(38,39)40)17-31(21,6)23(22)11-13-30(24,5)29(26)32(7,45-34)28(42-34)18-33(19(2)3)16-20(33)4/h19-29H,8-18H2,1-7H3,(H,35,36,37)(H,38,39,40)/t20-,21?,22-,23+,24+,25+,26+,27+,28-,29+,30+,31+,32+,33+,34?/m1/s1 |
| InChIKey | DQHPCRQHRHUZAY-YSVVWRGYSA-N |
| Mol Weight | 704.9 g/mol |
| Molecular Formula | C34H56O11S2 |
| Exact Mass | 704.326405 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1A4KQpEDeEM |
|---|---|
| Name | ORTHOESTEROL-B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H56O11S2 |
| InChI | InChI=1S/C34H56O11S2/c1-8-12-34-41-26-15-24-22-10-9-21-14-25(43-46(35,36)37)27(44-47(38,39)40)17-31(21,6)23(22)11-13-30(24,5)29(26)32(7,45-34)28(42-34)18-33(19(2)3)16-20(33)4/h19-29H,8-18H2,1-7H3,(H,35,36,37)(H,38,39,40)/t20-,21?,22-,23+,24+,25+,26+,27+,28-,29+,30+,31+,32+,33+,34?/m1/s1 |
| InChIKey | DQHPCRQHRHUZAY-YSVVWRGYSA-N |
| Literature Reference Author | J.L.GINER,J.A.FARALDOS |
| Literature Reference Citation | J.ORG.CHEM.,67,2717(2002) |
| Literature Reference DOI | 10.1021/jo011111z |
| Molecular Weight | 704.932 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS24029 |