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(2E,5E,7S,10S,11E,13S)-3,7,13-trimethyl-7,13-bis(oxidanyl)-10-propan-2-yl-cyclotetradeca-2,5,11-trien-1-one
SpectraBase Compound ID yNdThgXNGj
InChI InChI=1S/C20H32O3/c1-15(2)17-8-11-19(4,22)10-6-7-16(3)13-18(21)14-20(5,23)12-9-17/h6,9-10,12-13,15,17,22-23H,7-8,11,14H2,1-5H3/b10-6+,12-9+,16-13+/t17-,19-,20-/m1/s1
InChIKey CJTRMZGCYNUWEN-RVQMKAGTSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CXczoX2r16
Name (2E,5E,7S,10S,11E,13S)-3,7,13-trimethyl-7,13-bis(oxidanyl)-10-propan-2-yl-cyclotetradeca-2,5,11-trien-1-one
CAS Registry Number 98064-74-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-15(2)17-8-11-19(4,22)10-6-7-16(3)13-18(21)14-20(5,23)12-9-17/h6,9-10,12-13,15,17,22-23H,7-8,11,14H2,1-5H3/b10-6+,12-9+,16-13+/t17-,19-,20-/m1/s1
InChIKey CJTRMZGCYNUWEN-RVQMKAGTSA-N
Molecular Weight 320.473 g/mol
SMILES O[C@]1(CC[C@](\C=C\[C@](CC(\C=C\(C\C=C\1)C)=O)(O)C)(C(C)C)[H])C
SPLASH splash10-001l-9200000000-bb54701470057d3e9f65
Source of Spectrum J-50-4536-2
Synonyms (2E,5E,7S,10S,11E,13S)-7,13-dihydroxy-10-isopropyl-3,7,13-trimethyl-cyclotetradeca-2,5,11-trien-1-one (2E,5E,7S,10S,11E,13S)-7,13-dihydroxy-3,7,13-trimethyl-10-propan-2-yl-1-cyclotetradeca-2,5,11-trienone (2E,5E,7S,10S,11E,13S)-7,13-dihydroxy-3,7,13-trimethyl-10-propan-2-ylcyclotetradeca-2,5,11-trien-1-one
Wiley ID 1320432