![4-Methyl-5-(6-methylheptan-2-yl)-13-(3-hydroxypropyl)tricyclo[7.6.0.0(4,8)]pentadec-11-en-9-ol isomer](/api/spectrum/5pvh9zdMewG/structure.png?h=300&w=458 "4-Methyl-5-(6-methylheptan-2-yl)-13-(3-hydroxypropyl)tricyclo[7.6.0.0(4,8)]pentadec-11-en-9-ol isomer")
| SpectraBase Compound ID | 1Lsh7Q0DMM |
|---|---|
| InChI | InChI=1S/C27H48O2/c1-20(2)8-5-9-21(3)24-14-15-25-26(24,4)18-16-23-13-12-22(11-7-19-28)10-6-17-27(23,25)29/h6,10,20-25,28-29H,5,7-9,11-19H2,1-4H3/b10-6-/t21?,22-,23?,24+,25+,26+,27-/m0/s1 |
| InChIKey | DQCAUFGMMJZOBH-APYOTMAYSA-N |
| Mol Weight | 404.7 g/mol |
| Molecular Formula | C27H48O2 |
| Exact Mass | 404.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5pvh9zdMewG |
|---|---|
| Name | 4-Methyl-5-(6-methylheptan-2-yl)-13-(3-hydroxypropyl)tricyclo[7.6.0.0(4,8)]pentadec-11-en-9-ol isomer |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H48O2 |
| InChI | InChI=1S/C27H48O2/c1-20(2)8-5-9-21(3)24-14-15-25-26(24,4)18-16-23-13-12-22(11-7-19-28)10-6-17-27(23,25)29/h6,10,20-25,28-29H,5,7-9,11-19H2,1-4H3/b10-6-/t21?,22-,23?,24+,25+,26+,27-/m0/s1 |
| InChIKey | DQCAUFGMMJZOBH-APYOTMAYSA-N |
| Molecular Weight | 404.679 g/mol |
| SMILES | O[C@]12[C@]3([C@](CCC1CC[C@](CCCO)(\C=C/C2)[H])([C@](CC3)(C(CCCC(C)C)C)[H])C)[H] |
| SPLASH | splash10-000i-0009400000-cd5911d5fc5ccff92396 |
| Source of Spectrum | F-70-8289-32 |
| Wiley ID | 1597557 |