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(3aS,6S,9E,12aR)-1-isopropylidene-3a,6,10-trimethyl-3,5,6,7,8,11,12,12a-octahydrocyclopentacycloundecene-2,4-quinone
SpectraBase Compound ID L3VhE6LcBXU
InChI InChI=1S/C20H30O2/c1-13(2)19-16-10-9-14(3)7-6-8-15(4)11-18(22)20(16,5)12-17(19)21/h7,15-16H,6,8-12H2,1-5H3/b14-7+/t15-,16-,20-/m0/s1
InChIKey GRWHYYURDARQCI-NDOHKFJASA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pHy0MyJ9BC
Name (3aS,6S,9E,12aR)-1-isopropylidene-3a,6,10-trimethyl-3,5,6,7,8,11,12,12a-octahydrocyclopentacycloundecene-2,4-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-13(2)19-16-10-9-14(3)7-6-8-15(4)11-18(22)20(16,5)12-17(19)21/h7,15-16H,6,8-12H2,1-5H3/b14-7+/t15-,16-,20-/m0/s1
InChIKey GRWHYYURDARQCI-NDOHKFJASA-N
Molecular Weight 302.458 g/mol
SMILES [C@@]12([C@](C(=C(C)C)C(C2)=O)(CC\C(=C\CC[C@@](CC1=O)(C)[H])C)[H])C
SPLASH splash10-0udi-7902000000-2763d5f6efb5d62232d3
Source of Spectrum J-56-3397-5
Synonyms (3aS,6S,9E,12aR)-1-isopropylidene-3a,6,10-trimethyl-3,5,6,7,8,11,12,12a-octahydrocyclopenta[11]annulene-2,4-dione (3aS,6S,9E,12aR)-3a,6,10-trimethyl-1-propan-2-ylidene-3,5,6,7,8,11,12,12a-octahydrocyclopenta[11]annulene-2,4-dione
Wiley ID 1305160