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Xeniolide-G
SpectraBase Compound ID JQECiLiXpA4
InChI InChI=1S/C20H28O5/c1-13-7-9-16-15(6-5-11-20(3,4)22)12-24-19(21)18(16)14(2)8-10-17(13)25-23/h5-6,11,16-18,22-23H,1-2,7-10,12H2,3-4H3/t16-,17?,18+/m1/s1
InChIKey RBMLFMIIGOFFQM-BLAYRMRBSA-N
Mol Weight 348.44 g/mol
Molecular Formula C20H28O5
Exact Mass 348.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38DoNcTuBGP
Name Xeniolide-G
Appearance oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O5
InChI InChI=1S/C20H28O5/c1-13-7-9-16-15(6-5-11-20(3,4)22)12-24-19(21)18(16)14(2)8-10-17(13)25-23/h5-6,11,16-18,22-23H,1-2,7-10,12H2,3-4H3/t16-,17?,18+/m1/s1
InChIKey RBMLFMIIGOFFQM-BLAYRMRBSA-N
Instrument Name JEOL JMS-SX/SX 102A
Ionization Type EI
Literature Reference DOI 10.1021/np020268z
Molecular Weight 348.439 g/mol
Optical Rotation [a]D25 = +27.5 (c = 0.40, CHCl3)
Reported Formula C20H28O5
SMILES OOC1C(CC[C@]2([C@@](C(OCC2=CC=CC(C)(C)O)=O)(C(CC1)=C)[H])[H])=C
SPLASH splash10-0006-9000000000-a8d7d994aa1faf174152
Source of Spectrum G4-65-1885-3
Wiley ID 1883559