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Petrocortyne C

View entire compound with spectra: 1 MS (GC)

Petrocortyne C
SpectraBase Compound ID H5dDHXwpVDf
InChI InChI=1S/C46H70O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33-36-39-45-41-44(48)42-46(49-45)40-37-34-31-30-32-35-38-43(47)4-2/h1-2,5-6,21-22,27-28,35,38,41-43,47H,7-20,23-26,29-34,36-37,39-40H2/b6-5-,22-21-,28-27-,38-35+
InChIKey DELOXYOLYWBTNR-PIWYAANRSA-N
Mol Weight 671.1 g/mol
Molecular Formula C46H70O3
Exact Mass 670.532496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8goaBwhPvIy
Name Petrocortyne C
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H70O3
InChI InChI=1S/C46H70O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33-36-39-45-41-44(48)42-46(49-45)40-37-34-31-30-32-35-38-43(47)4-2/h1-2,5-6,21-22,27-28,35,38,41-43,47H,7-20,23-26,29-34,36-37,39-40H2/b6-5-,22-21-,28-27-,38-35+
InChIKey DELOXYOLYWBTNR-PIWYAANRSA-N
Molecular Weight 671.063 g/mol
SMILES OC(C#C)\C=C\CCCCCCC=1OC(=CC(C1)=O)CCCC\C=C/CCCC\C=C/CCCCCCCCCCCCCC\C=C/C#C
SPLASH splash10-00di-5900000000-7c6f1aed50d3982c61cc
Source of Spectrum F-54-457-3
Synonyms 2-[(E)-9-hydroxyundec-7-en-10-ynyl]-6-[(5Z,11Z,27Z)-triaconta-5,11,27-trien-29-ynyl]-4-pyranone 2-[(E)-9-hydroxyundec-7-en-10-ynyl]-6-[(5Z,11Z,27Z)-triaconta-5,11,27-trien-29-ynyl]pyran-4-one 2-[(E)-9-oxidanylundec-7-en-10-ynyl]-6-[(5Z,11Z,27Z)-triaconta-5,11,27-trien-29-ynyl]pyran-4-one
Wiley ID 805381