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Methyl (5R,9S,10R,17S)-12,15,17-triacetoxylabd-Z-12-en-19-oate
SpectraBase Compound ID BPgmqEkWgKE
InChI InChI=1S/C27H42O8/c1-17(11-14-33-18(2)28)23(35-20(4)30)15-22-21(16-34-19(3)29)9-10-24-26(22,5)12-8-13-27(24,6)25(31)32-7/h21-22,24H,8-16H2,1-7H3/b23-17-/t21-,22+,24-,26-,27?/m1/s1
InChIKey FMTUQXNXRBLPPZ-OAROGMMQSA-N
Mol Weight 494.6 g/mol
Molecular Formula C27H42O8
Exact Mass 494.287968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3l52FAQhUx
Name Methyl (5R,9S,10R,17S)-12,15,17-triacetoxylabd-Z-12-en-19-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O8
InChI InChI=1S/C27H42O8/c1-17(11-14-33-18(2)28)23(35-20(4)30)15-22-21(16-34-19(3)29)9-10-24-26(22,5)12-8-13-27(24,6)25(31)32-7/h21-22,24H,8-16H2,1-7H3/b23-17-/t21-,22+,24-,26-,27?/m1/s1
InChIKey FMTUQXNXRBLPPZ-OAROGMMQSA-N
Molecular Weight 494.625 g/mol
SMILES [C@@]12([C@](C(C(=O)OC)(C)CCC2)(CC[C@@]([C@@]1(C\C(OC(=O)C)=C\(CCOC(=O)C)C)[H])(COC(=O)C)[H])[H])C
SPLASH splash10-0006-9201000000-7a8aa8637ecf290f1e93
Source of Spectrum Y4-89-721-18
Wiley ID 840570