Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C30H38O4/c1-28-13-10-23(33-18-20-6-4-3-5-7-20)17-22(28)8-9-26-25(28)11-14-29(2)24(12-15-30(26,29)32)21-16-27(31)34-19-21/h3-7,12,16,22-23,25-26,32H,8-11,13-15,17-19H2,1-2H3/t22-,23-,25-,26+,28-,29+,30-/m0/s1
SMILES O=C1OCC(=C1)C1=CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)OCc1ccccc1)O
InChI Key RPSOUIUISVVWAN-ZKJSLFQJSA-N
Molecular Formula C30H38O4
Exact Mass 462.620 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RPSOUIUISVVWAN-ZKJSLFQJSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/RPSOUIUISVVWAN-ZKJSLFQJSA-N/CHMO0000498
Version
Author Sarah Al Muthafer
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-10-11
Related Molecule
  • 3-[(3S,5S,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-phenylmethoxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    165369099 PubChem
    The data in this table is sourced from UniChem at EBI.