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Longithorone H
SpectraBase Compound ID 93evrWpNmPv
InChI InChI=1S/C42H46O5/c1-27-8-5-9-28(2)16-34-24-41(47)35(25-40(34)46)21-37-20-31-12-6-10-29(3)17-33-23-38(44)32(22-39(33)45)14-13-30(4)18-36(19-31)42(37,26-43)15-7-11-27/h7,9-11,13,15,19,22-26,36-37H,5-6,8,12,14,16-18,20-21H2,1-4H3/b15-7+,27-11+,28-9-,29-10-,30-13+/t36-,37+,42-/m1/s1
InChIKey HAKKWIWVFYLQBA-CRGWPLLOSA-N
Mol Weight 630.8 g/mol
Molecular Formula C42H46O5
Exact Mass 630.334525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJ2g35bFL0U
Name Longithorone H
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H46O5
InChI InChI=1S/C42H46O5/c1-27-8-5-9-28(2)16-34-24-41(47)35(25-40(34)46)21-37-20-31-12-6-10-29(3)17-33-23-38(44)32(22-39(33)45)14-13-30(4)18-36(19-31)42(37,26-43)15-7-11-27/h7,9-11,13,15,19,22-26,36-37H,5-6,8,12,14,16-18,20-21H2,1-4H3/b15-7+,27-11+,28-9-,29-10-,30-13+/t36-,37+,42-/m1/s1
InChIKey HAKKWIWVFYLQBA-CRGWPLLOSA-N
Molecular Weight 630.825 g/mol
SMILES [C@]12([C@]3(C=C(C[C@]2(CC2=CC(=O)C(=CC2=O)C\C(=C/CC\C(=C\C=C\1)C)C)[H])CC\C=C/(CC1=CC(C(C\C=C\(C3)C)=CC1=O)=O)C)[H])C=O
SPLASH splash10-00di-0009001000-79869cd607b2d65b5fc2
Source of Spectrum J-62-3818-8
Wiley ID 1412127