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PETROCORTYNE_A

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PETROCORTYNE_A
SpectraBase Compound ID Fa8LRgjKMfu
InChI InChI=1S/C46H70O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34-37-40-43-46(48)44-41-38-35-32-31-33-36-39-42-45(47)4-2/h1-2,5-6,21-22,27-28,39,42,45-48H,7-20,23-26,29-38H2/b6-5-,22-21-,28-27-,42-39+/t45-,46-/m0/s1
InChIKey JHDVAFXLNSEWLY-QGJIOMKESA-N
Mol Weight 655.1 g/mol
Molecular Formula C46H70O2
Exact Mass 654.537581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JkZCKH0O8T
Name Petrocortyne A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H70O2
InChI InChI=1S/C46H70O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34-37-40-43-46(48)44-41-38-35-32-31-33-36-39-42-45(47)4-2/h1-2,5-6,21-22,27-28,39,42,45-48H,7-20,23-26,29-38H2/b6-5-,22-21-,28-27-,42-39+/t45-,46-/m0/s1
InChIKey JHDVAFXLNSEWLY-QGJIOMKESA-N
Molecular Weight 655.064 g/mol
SMILES O[C@](\C=C\CCCCCCC#C[C@](C#CCCCC\C=C/CCCC\C=C/CCCCCCCCCCCCCC\C=C/C#C)(O)[H])(C#C)[H]
SPLASH splash10-03kj-0913300000-b0a638a26e903409a9a1
Source of Spectrum F-54-456-1
Synonyms (3R,4E,14R,21Z,27Z,43Z)-hexatetraconta-4,21,27,43-tetraen-1,12,15,45-tetrayne-3,14-diol
Wiley ID 805383