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Pentacyclo[18.2.2.23,6.29,12.214,17]triaconta-3,5,9,11,14,16,20,22,23,25,27,29-dodecaen-2-ol
SpectraBase Compound ID FWKg9a6UKKp
InChI InChI=1S/C30H28O/c31-30-28-17-13-24(14-18-28)3-1-22-5-9-26(10-6-22)21-27-11-7-23(8-12-27)2-4-25-15-19-29(30)20-16-25/h5-20,30-31H,1-4,21H2
InChIKey HPQMLMHNVGRPDN-UHFFFAOYSA-N
Mol Weight 404.55 g/mol
Molecular Formula C30H28O
Exact Mass 404.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAICdyjJXcv
Name Pentacyclo[18.2.2.23,6.29,12.214,17]triaconta-3,5,9,11,14,16,20,22,23,25,27,29-dodecaen-2-ol
CAS Registry Number 114067-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H28O
InChI InChI=1S/C30H28O/c31-30-28-17-13-24(14-18-28)3-1-22-5-9-26(10-6-22)21-27-11-7-23(8-12-27)2-4-25-15-19-29(30)20-16-25/h5-20,30-31H,1-4,21H2
InChIKey HPQMLMHNVGRPDN-UHFFFAOYSA-N
Molecular Weight 404.553 g/mol
SMILES OC1c2ccc(cc2)CCc2ccc(cc2)Cc2ccc(CCc3ccc1cc3)cc2
SPLASH splash10-114m-0753900000-ddf359c1a6ab898b1b6e
Source of Spectrum F-43-3211-6
Synonyms (2,1,2,1)paracyclophane-9-D Pentacyclo[18.2.2.2(3,6).2(9,12).2(14,17)]triaconta-1(22),3,5,9,11,14,16,20,23,25,27,29-dodecaen-2-ol [2.1.2.1]paracyclophane-9-ol
Wiley ID 1371622