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trunculin-F methyl ester
SpectraBase Compound ID 9FYVhHJ92aw
InChI InChI=1S/C25H40O5/c1-15-8-9-19-18(12-15)13-16(2)23(4)14-21(28-25(19,23)6)24(5)11-10-20(29-30-24)17(3)22(26)27-7/h12,16-21H,8-11,13-14H2,1-7H3/t16-,17-,18-,19-,20-,21+,23+,24-,25-/m1/s1
InChIKey ZUKFYDKHJLXOAT-MCEAZBOZSA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55biznXgzDa
Name trunculin-F methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-15-8-9-19-18(12-15)13-16(2)23(4)14-21(28-25(19,23)6)24(5)11-10-20(29-30-24)17(3)22(26)27-7/h12,16-21H,8-11,13-14H2,1-7H3/t16-,17-,18-,19-,20-,21+,23+,24-,25-/m1/s1
InChIKey ZUKFYDKHJLXOAT-MCEAZBOZSA-N
Molecular Weight 420.590 g/mol
SMILES [C@@]12([C@@](C[C@](O2)([C@@]2(OO[C@@]([C@](C(=O)OC)(C)[H])(CC2)[H])C)[H])([C@](C)(C[C@@]2([C@]1(CCC(C)=C2)[H])[H])[H])C)C
SPLASH splash10-0006-8900000000-0944073d81146b9b1160
Source of Spectrum B-46-1363-0
Synonyms Methyl (2R)-2-{(3R,6R)-6-[(2S,3aS,4R,5aS,9aR,9bR)-3a,4,7,9b-tetramethyl-2,3,3a,4,5,5a,8,9,9a,9b-decahydronaphtho[1,2-b]furan-2-yl]-6-methyl-1,2-dioxan-3-yl}propanoate
Wiley ID 1378082