Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

MS (ASAP): m/z (%) = 393 [M-OCH3]+ (24), 330 (4), 279 (100), 217 (5), 122 (7).Unknown adducts: 557 (6).HRMS (ASAP): m/z = calcd for C29H45 [M-OCH3]+ = 393.3516; found: 393.3513.

Chemical Information

Molecular Image
InChI InChI=1S/C30H48O/c1-17(2)18(3)21-14-22(21)19(4)24-8-9-25-23-15-27(31-7)30-16-20(30)10-13-29(30,6)26(23)11-12-28(24,25)5/h17,19-27H,3,8-16H2,1-2,4-7H3/t19-,20-,21-,22-,23+,24-,25+,26+,27-,28-,29-,30+/m1/s1
SMILES CO[C@@H]1C[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@@]31C[C@H]3CC2)C)[C@@H]([C@H]1C[C@@H]1C(=C)C(C)C)C
InChIKey HETNRYQMKVSTAX-QAKATZKESA-N
Exact Mass 424.702 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HETNRYQMKVSTAX-QAKATZKESA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/HETNRYQMKVSTAX-QAKATZKESA-N/CHMO0000470
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-08-27T12:45:45Z
Related Molecule
  • nfdi4chem-mol6266 (Unknown Molecule)
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.