![17,17'-oxybis[(17S)-8,13:13,17-diepoxy-14,15-dinorlabdane]](/api/spectrum/Fkqr9AiuWEN/structure.png?h=300&w=458 "17,17'-oxybis[(17S)-8,13:13,17-diepoxy-14,15-dinorlabdane]")
| SpectraBase Compound ID | 5bpFNLmzGzS |
|---|---|
| InChI | InChI=1S/C36H58O5/c1-29(2)15-9-17-31(5)23(29)13-21-35-25(31)11-19-33(7,40-35)38-27(35)37-28-36-22-14-24-30(3,4)16-10-18-32(24,6)26(36)12-20-34(8,39-28)41-36/h23-28H,9-22H2,1-8H3/t23?,24?,25?,26?,27?,28?,31-,32-,33-,34-,35+,36+/m0/s1 |
| InChIKey | QRQNULJOVLAMPD-CQTRUAPLSA-N |
| Mol Weight | 570.9 g/mol |
| Molecular Formula | C36H58O5 |
| Exact Mass | 570.428425 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fkqr9AiuWEN |
|---|---|
| Name | 17,17'-oxybis[(17S)-8,13:13,17-diepoxy-14,15-dinorlabdane] |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H58O5 |
| InChI | InChI=1S/C36H58O5/c1-29(2)15-9-17-31(5)23(29)13-21-35-25(31)11-19-33(7,40-35)38-27(35)37-28-36-22-14-24-30(3,4)16-10-18-32(24,6)26(36)12-20-34(8,39-28)41-36/h23-28H,9-22H2,1-8H3/t23?,24?,25?,26?,27?,28?,31-,32-,33-,34-,35+,36+/m0/s1 |
| InChIKey | QRQNULJOVLAMPD-CQTRUAPLSA-N |
| Molecular Weight | 570.855 g/mol |
| SMILES | [C@]123C(O[C@@](O3)(CCC2[C@]2(CCCC(C2CC1)(C)C)C)C)OC1[C@@]23C([C@]4(CCCC(C4CC3)(C)C)C)CC[C@](O1)(C)O2 |
| SPLASH | splash10-004i-0090000000-5cef79412897a5bc0e87 |
| Source of Spectrum | B-47-71-0 |
| Synonyms | (1S,3S,4R,9S,12R,13R)-1,8,8,12-tetramethyl-2,16-dioxatetracyclo[10.3.1.0(4,9).0(4,13)]hexadec-3-yl (1S,4R,9S,12R,13R)-1,8,8,12-tetramethyl-2,16-dioxatetracyclo[10.3.1.0(4,9).0(4,13)]hexadec-3-yl ether (1S,4R,9S,12R,13R)-1,8,8,12-tetramethyl-3-{[(1S,3S,4R,9S,12R,13R)-1,8,8,12-tetramethyl-2,16-dioxatetracyclo[10.3.1.0(4,9).0(4,13)]hexadec-3-yl]oxy}-2,16-dioxatetracyclo[10.3.1.0(4,9).0(4,13)]hexadecane |
| Wiley ID | 1407750 |