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Bicyclo[14.2.2]eicosa-3,7,11,16(20),18-pentaene-17,19-dione, 18,20-dihydroxy-15-(1-hydroxy-1-methylethyl)-4,8,12-trimethyl-
SpectraBase Compound ID 54Dz7BssEtd
InChI InChI=1S/C26H36O5/c1-16-8-6-10-17(2)12-14-19-22(27)24(29)21(25(30)23(19)28)20(26(4,5)31)15-13-18(3)11-7-9-16/h8,11-12,14,20,22,27,30-31H,6-7,9-10,13,15H2,1-5H3/b16-8-,17-12-,18-11+,19-14-/t20?,22-/m0/s1
InChIKey PTRBYQJRAOXWAF-RPJBCNBJSA-N
Mol Weight 428.6 g/mol
Molecular Formula C26H36O5
Exact Mass 428.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbhIM8zkQT4
Name Bicyclo[14.2.2]eicosa-3,7,11,16(20),18-pentaene-17,19-dione, 18,20-dihydroxy-15-(1-hydroxy-1-methylethyl)-4,8,12-trimethyl-
CAS Registry Number 58262-74-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O5
InChI InChI=1S/C26H36O5/c1-16-8-6-10-17(2)12-14-19-22(27)24(29)21(25(30)23(19)28)20(26(4,5)31)15-13-18(3)11-7-9-16/h8,11-12,14,20,22,27,30-31H,6-7,9-10,13,15H2,1-5H3/b16-8-,17-12-,18-11+,19-14-/t20?,22-/m0/s1
InChIKey PTRBYQJRAOXWAF-RPJBCNBJSA-N
Molecular Weight 428.569 g/mol
SMILES O[C@]1(\C=2C(C(=C(C(C(O)(C)C)CC\C(=C\CC\C(=C/CC\C(=C/C/2)C)C)C)C1=O)O)=O)[H]
SPLASH splash10-0cna-9221200000-b63c484e84ad82a36da6
Source of Spectrum O-11-474-1
Synonyms 18,20-dihydroxy-15-(1-hydroxy-1-methylethyl)-4,8,12-trimethylbicyclo[14.2.2]icosa-1,3,7,11,16(20)-pentaene-17,19-dione Secotridentoquinone
Wiley ID 1380798