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(1S,3R,4S,5S,7R)-4-[(Z)-6'-methoxycarbonylhex-2-enyl]-3-[(E)-3''-hydroxyoct-1-enyl]-2,6-dioxatricyclo[3.3.1.0(3,7)]nonane
SpectraBase Compound ID 3JFKfA2qE1E
InChI InChI=1S/C23H36O5/c1-3-4-7-10-17(24)13-14-23-19(11-8-5-6-9-12-22(25)26-2)20-15-18(28-23)16-21(23)27-20/h5,8,13-14,17-21,24H,3-4,6-7,9-12,15-16H2,1-2H3/b8-5-,14-13+/t17?,18-,19-,20+,21-,23-/m0/s1
InChIKey WICSAWHKHQLKFJ-RRJPFFCJSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YZxQwULgTk
Name (1S,3R,4S,5S,7R)-4-[(Z)-6'-methoxycarbonylhex-2-enyl]-3-[(E)-3''-hydroxyoct-1-enyl]-2,6-dioxatricyclo[3.3.1.0(3,7)]nonane
CAS Registry Number 113668-07-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-3-4-7-10-17(24)13-14-23-19(11-8-5-6-9-12-22(25)26-2)20-15-18(28-23)16-21(23)27-20/h5,8,13-14,17-21,24H,3-4,6-7,9-12,15-16H2,1-2H3/b8-5-,14-13+/t17?,18-,19-,20+,21-,23-/m0/s1
InChIKey WICSAWHKHQLKFJ-RRJPFFCJSA-N
Molecular Weight 392.536 g/mol
SMILES OC(\C=C\[C@]12[C@]3(O[C@@]([C@@]2(C\C=C/CCCC(=O)OC)[H])(C[C@](O1)(C3)[H])[H])[H])CCCCC
SPLASH splash10-0uk9-0095000000-28e017145f4d663f6f58
Source of Spectrum KC-1987-1665-32
Synonyms (1S,3R,4S,5S,7R)-4-[(Z)-6'-methoxycarbonylhex-2-enyl]-3-[(E)-3''-hydroxyoct-1-enyl]-2,6-dioxatricyclo[3.3.1.0(3,7)]nonane methyl (5Z)-7-{(1S,3R,4S,5S,7R)-3-[(1E)-3-hydroxy-1-octenyl]-2,6-dioxatricyclo[3.3.1.0(3,7)]non-4-yl}-5-heptenoate
Wiley ID 1365920