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(1S,2E,4R,6R,7E,11E,13R)-6-Acetoxy-2,7,11-cembratriene-4,13-diol
SpectraBase Compound ID 3iOfEObg0ZH
InChI InChI=1S/C22H36O4/c1-15(2)19-10-11-22(6,25)14-20(26-18(5)23)12-16(3)8-7-9-17(4)21(24)13-19/h9-12,15,19-21,24-25H,7-8,13-14H2,1-6H3/b11-10+,16-12+,17-9+/t19-,20-,21+,22-/m0/s1
InChIKey CLLDSYFHQCFUQA-GKRGJETNSA-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 6lqRfCrLSb
Name (1S,2E,4R,6R,7E,11E,13R)-6-Acetoxy-2,7,11-cembratriene-4,13-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-15(2)19-10-11-22(6,25)14-20(26-18(5)23)12-16(3)8-7-9-17(4)21(24)13-19/h9-12,15,19-21,24-25H,7-8,13-14H2,1-6H3/b11-10+,16-12+,17-9+/t19-,20-,21+,22-/m0/s1
InChIKey CLLDSYFHQCFUQA-GKRGJETNSA-N
Molecular Weight 364.526 g/mol
SMILES O[C@@]1(C[C@](\C=C\(CC\C=C\([C@@](C[C@](\C=C\1)(C(C)C)[H])(O)[H])C)C)(OC(=O)C)[H])C
SPLASH splash10-052f-9320000000-afac73cf4b4d662a5b83
Source of Spectrum SB-47-85-6
Synonyms (1R,8R,10S,13R)-8,13-dihydroxy-10-isopropyl-3,7,13-trimethyl-2,6,11-cyclotetradecatrien-1-yl acetate
Wiley ID 1351033