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Constanolactone E
SpectraBase Compound ID Bp9j196bDJJ
InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-7-9-17(21)18(22)13-12-15-14-16(15)19-10-8-11-20(23)24-19/h6-7,12-13,15-19,21-22H,2-5,8-11,14H2,1H3/b7-6-,13-12+/t15-,16-,17-,18+,19+/m0/s1
InChIKey GUCRVQJMZMFWEY-VBBTXEEJSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GyejcVlsWO2
Name Constanolactone E
Alternate Name(s) (R)-6-[(1R,3S)-2-((R)-4-(S)-Hydroxy-3-hydroxy-dodeca-1,6,-dienyl)-cyclopropyl]-tetrahydro-pyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-7-9-17(21)18(22)13-12-15-14-16(15)19-10-8-11-20(23)24-19/h6-7,12-13,15-19,21-22H,2-5,8-11,14H2,1H3/b7-6-,13-12+/t15-,16-,17-,18+,19+/m0/s1
InChIKey GUCRVQJMZMFWEY-VBBTXEEJSA-N
Molecular Weight 336.472 g/mol
SMILES O[C@]([C@@](\C=C\[C@@]1([C@](C1)([C@@]1(OC(=O)CCC1)[H])[H])[H])(O)[H])(C\C=C/CCCCC)[H]
SPLASH splash10-0a4j-9500000000-3db049a6dc01b1f94312
Source of Spectrum H1-47-427-1
Wiley ID 816080