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(2R,3S)-3-O-[(-)-(R)-.alpha.-methoxy-.alpha.-(9-anthryl)acetyl]-2-methyloct-7-ynoic methyl ester
SpectraBase Compound ID GxYet5musjr
InChI InChI=1S/C27H28O5/c1-5-6-7-16-23(18(2)26(28)31-4)32-27(29)25(30-3)24-21-14-10-8-12-19(21)17-20-13-9-11-15-22(20)24/h1,8-15,17-18,23,25H,6-7,16H2,2-4H3/t18-,23+,25-/m1/s1
InChIKey LFDFEXDHCGONHK-FMNCTDSISA-N
Mol Weight 432.52 g/mol
Molecular Formula C27H28O5
Exact Mass 432.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3PnDx79uGiT
Name (2R,3S)-3-O-[(-)-(R)-.alpha.-methoxy-.alpha.-(9-anthryl)acetyl]-2-methyloct-7-ynoic methyl ester
Alternate Name(s) Methyl (2R,3S)-3-{[(2R)-2-(9-anthryl)-2-methoxyethanoyl]oxy}-2-methyl-7-octynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28O5
InChI InChI=1S/C27H28O5/c1-5-6-7-16-23(18(2)26(28)31-4)32-27(29)25(30-3)24-21-14-10-8-12-19(21)17-20-13-9-11-15-22(20)24/h1,8-15,17-18,23,25H,6-7,16H2,2-4H3/t18-,23+,25-/m1/s1
InChIKey LFDFEXDHCGONHK-FMNCTDSISA-N
Molecular Weight 432.516 g/mol
SMILES c1([C@](C(O[C@]([C@](C(=O)OC)(C)[H])(CCCC#C)[H])=O)(OC)[H])c2c(cccc2)cc2c1cccc2
SPLASH splash10-00di-0190100000-79d8274d5e12850c492c
Source of Spectrum C-118-11643-21
Wiley ID 760061