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.beta.-Carbonolide B 4-Methoxybenzylacetal
SpectraBase Compound ID 8jHGQXpKCEm
InChI InChI=1S/C30H40O9/c1-19-15-23-16-28(36-18-22-11-13-24(34-4)14-12-22)39-29(23)30(35-5)26(38-21(3)31)17-27(33)37-20(2)9-7-6-8-10-25(19)32/h6-8,10-14,19-20,23,26,28-30H,9,15-18H2,1-5H3/b7-6+,10-8+/t19-,20-,23-,26-,28-,29+,30+/m1/s1
InChIKey NJBXKDIYGKXBDR-INGJQTKTSA-N
Mol Weight 544.6 g/mol
Molecular Formula C30H40O9
Exact Mass 544.267233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOJf0WIq4UC
Name .beta.-Carbonolide B 4-Methoxybenzylacetal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H40O9
InChI InChI=1S/C30H40O9/c1-19-15-23-16-28(36-18-22-11-13-24(34-4)14-12-22)39-29(23)30(35-5)26(38-21(3)31)17-27(33)37-20(2)9-7-6-8-10-25(19)32/h6-8,10-14,19-20,23,26,28-30H,9,15-18H2,1-5H3/b7-6+,10-8+/t19-,20-,23-,26-,28-,29+,30+/m1/s1
InChIKey NJBXKDIYGKXBDR-INGJQTKTSA-N
Molecular Weight 544.641 g/mol
SMILES [C@@]12([C@]([C@@](CC(O[C@@](C\C=C\C=C\C([C@@](C[C@@]2(C[C@@](O1)(OCc1ccc(cc1)OC)[H])[H])(C)[H])=O)(C)[H])=O)(OC(=O)C)[H])(OC)[H])[H]
SPLASH splash10-00di-0910000000-2d2fac40f7daa54d06a3
Source of Spectrum E1-39-72-34
Wiley ID 1518621