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2.beta.,19:8.alpha.,13:17,20-triepoxylabdane
SpectraBase Compound ID 3QFoEtqtAGV
InChI InChI=1S/C20H32O3/c1-4-18(3)7-5-16-19-10-14-9-17(2,11-22-14)15(19)6-8-20(16,23-18)13-21-12-19/h14-16H,4-13H2,1-3H3/t14?,15-,16+,17?,18-,19+,20-/m0/s1
InChIKey BQIVIVMRMUXKNY-LDRWVBLUSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29iLZAj5KCd
Name 2.beta.,19:8.alpha.,13:17,20-triepoxylabdane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-4-18(3)7-5-16-19-10-14-9-17(2,11-22-14)15(19)6-8-20(16,23-18)13-21-12-19/h14-16H,4-13H2,1-3H3/t14?,15-,16+,17?,18-,19+,20-/m0/s1
InChIKey BQIVIVMRMUXKNY-LDRWVBLUSA-N
Molecular Weight 320.473 g/mol
SMILES [C@@]123[C@](C4(COC(C4)C1)C)(CC[C@@]1([C@@]2(CC[C@@](CC)(C)O1)[H])COC3)[H]
SPLASH splash10-056u-0491000000-3dd1ce8dad98c12ad082
Source of Spectrum B-44-487-0
Synonyms (1R,7S,10R,12S,15R)-12-ethyl-6,12-dimethyl-4,11,17-trioxapentacyclo[8.5.3.1(3,6).0(1,7).0(10,15)]nonadecane 2b,20:8a,13:17,20-triepoxylabdane
Wiley ID 1320469