(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltr...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT112580
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT112580 contains the MS2 mass spectrum of (2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol,...
Chemical Info
InChI | InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3 |
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SMILES | CC1=C2C(=CC(=C1)O)CCC(O2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C |
InChI Key | ODADKLYLWWCHNB-UHFFFAOYSA-N |
Molecular Formula | C27H40O2 |
Exact Mass | 396.615 g/mol |
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Additional Information
Field | Value |
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Data last updated | January 11, 2024 |
Metadata last updated | January 11, 2024 |
Created | January 11, 2024 |
Format | HTML |
License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
Id | 53ef2703-4ac4-42f1-a7c6-d16491f13718 |
Package id | msbnk-riken_respect-pt112580 |
Resource type | HTML |
State | active |