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(1S,2E,4S,6R,7E,11Z)-6-Acetoxy-2,7,11-cembratriene-4,20-diol
SpectraBase Compound ID 5ZnVUcozPOK
InChI InChI=1S/C22H36O4/c1-16(2)20-10-9-19(15-23)8-6-7-17(3)13-21(26-18(4)24)14-22(5,25)12-11-20/h8,11-13,16,20-21,23,25H,6-7,9-10,14-15H2,1-5H3/b12-11+,17-13+,19-8-/t20-,21+,22-/m1/s1
InChIKey DHEUIVJZUYOXIN-HTZBYTDASA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID fR8WManjqA
Name (1S,2E,4S,6R,7E,11Z)-6-Acetoxy-2,7,11-cembratriene-4,20-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-16(2)20-10-9-19(15-23)8-6-7-17(3)13-21(26-18(4)24)14-22(5,25)12-11-20/h8,11-13,16,20-21,23,25H,6-7,9-10,14-15H2,1-5H3/b12-11+,17-13+,19-8-/t20-,21+,22-/m1/s1
InChIKey DHEUIVJZUYOXIN-HTZBYTDASA-N
Molecular Weight 364.526 g/mol
SMILES OC\C=1CC[C@](\C=C\[C@](C[C@](\C=C\(CCC\1)C)(OC(=O)C)[H])(O)C)(C(C)C)[H]
SPLASH splash10-0006-9200000000-faa19ed33783ad9cf219
Source of Spectrum SB-47-86-14
Synonyms (1R,10S,13S)-13-hydroxy-7-(hydroxymethyl)-10-isopropyl-3,13-dimethyl-2,6,11-cyclotetradecatrien-1-yl acetate
Wiley ID 1351029