| SpectraBase Compound ID | 44cMgytqIVr |
|---|---|
| InChI | InChI=1S/C30H52O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-25,31-32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,27+,28-,29-,30+/m1/s1 |
| InChIKey | NLHQJXWYMZLQJY-TXNIMPHESA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C30H52O2 |
| Exact Mass | 444.396731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8A0smyZ87E4 |
|---|---|
| Name | dammarenediol-II |
| Carrier Gas | Helium (1.2 ml/min) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 444.396730912 u |
| Formula | C30H52O2 |
| GC Column | Agilent DB-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| GC Oven Program | Oven temp 300oC |
| InChI | InChI=1S/C30H52O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-25,31-32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,27+,28-,29-,30+/m1/s1 |
| InChIKey | NLHQJXWYMZLQJY-TXNIMPHESA-N |
| Inlet Type | Split (10:1) |
| Instrument Name | Thermo Scientific GC/MS system Trace 1310-ISQ QD300 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/cbdv.202200874 |
| Molecular Weight | 444.744 g/mol |
| Quality | 420 |
| SMILES | O[C@]1(CC[C@]2([C@@](CC[C@@]3([C@@]2(CC[C@@]2([C@@]([C@](CCC=C(C)C)(O)C)(CC[C@@]32C)[H])[H])[H])C)(C1(C)C)[H])C)[H] |
| SPLASH | splash10-0aor-7900000000-a49fc0d3a32fae8665cf |
| Source of Spectrum | CBD-20-6-dammarenediol-II (DOI: 10.1002/cbdv.202200874) |
| Wiley ID | 1904851 |