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15',16'-di-epi-Pyrinodemin A

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15',16'-di-epi-Pyrinodemin A
SpectraBase Compound ID b8OFvaaeXx
InChI InChI=1S/C38H59N3O/c1(3-5-7-11-15-22-34-24-20-29-39-32-34)2-4-6-10-14-18-31-41-37-27-19-26-36(37)38(42-41)28-17-13-9-8-12-16-23-35-25-21-30-40-33-35/h4,6,20-21,24-25,29-30,32-33,36-38H,1-3,5,7-19,22-23,26-28,31H2/b6-4-/t36-,37+,38-/m0/s1
InChIKey ZRNXNRWWCKQFOL-UWPAFQDOSA-N
Mol Weight 573.9 g/mol
Molecular Formula C38H59N3O
Exact Mass 573.465814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9JvQQRKVEE4
Name 15',16'-di-epi-Pyrinodemin A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H59N3O
InChI InChI=1S/C38H59N3O/c1(3-5-7-11-15-22-34-24-20-29-39-32-34)2-4-6-10-14-18-31-41-37-27-19-26-36(37)38(42-41)28-17-13-9-8-12-16-23-35-25-21-30-40-33-35/h4,6,20-21,24-25,29-30,32-33,36-38H,1-3,5,7-19,22-23,26-28,31H2/b6-4-/t36-,37+,38-/m0/s1
InChIKey ZRNXNRWWCKQFOL-UWPAFQDOSA-N
Molecular Weight 573.910 g/mol
SMILES [C@@]1(ON([C@]2([C@@]1(CCC2)[H])[H])CCCC\C=C/CCCCCCCCc1cnccc1)(CCCCCCCCc1cnccc1)[H]
SPLASH splash10-052f-2951000000-936dfd3bf3834225fd47
Source of Spectrum KC-61-1138-1
Synonyms 16',17'-di-epi-Pyrinodemin A (3S,3aS,6aR)-3-[8-(3-pyridinyl)octyl]-1-[(Z)-14-(3-pyridinyl)tetradec-5-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[c]isoxazole (3S,3aS,6aR)-3-[8-(3-pyridyl)octyl]-1-[(Z)-14-(3-pyridyl)tetradec-5-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[c]isoxazole (3S,3aS,6aR)-3-(8-pyridin-3-yloctyl)-1-[(Z)-14-pyridin-3-yltetradec-5-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazole
Wiley ID 1627355