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8.alpha.,13-epoxylabdan-2.beta,20-diol

View entire compound with spectra: 1 MS (GC)

8.alpha.,13-epoxylabdan-2.beta,20-diol
SpectraBase Compound ID KKgD59l9hB3
InChI InChI=1S/C20H36O3/c1-6-18(4)9-7-16-19(5)12-14(22)11-17(2,3)15(19)8-10-20(16,13-21)23-18/h14-16,21-22H,6-13H2,1-5H3/t14-,15+,16-,18+,19+,20+/m1/s1
InChIKey SQRKCVRUGOJIAL-CNTMNXNISA-N
Mol Weight 324.5 g/mol
Molecular Formula C20H36O3
Exact Mass 324.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTeNEoImQSF
Name 8.alpha.,13-epoxylabdan-2.beta,20-diol
Alternate Name(s) (3S,4aR,6aS,9R,10aS,10bR)-3-ethyl-4a-(hydroxymethyl)-3,7,7,10a-tetramethyldodecahydro-1H-benzo[f]chromen-9-ol 8a,13-epoxylabdane-2b,20-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36O3
InChI InChI=1S/C20H36O3/c1-6-18(4)9-7-16-19(5)12-14(22)11-17(2,3)15(19)8-10-20(16,13-21)23-18/h14-16,21-22H,6-13H2,1-5H3/t14-,15+,16-,18+,19+,20+/m1/s1
InChIKey SQRKCVRUGOJIAL-CNTMNXNISA-N
Molecular Weight 324.505 g/mol
SMILES OC[C@]12[C@@]([C@@]3([C@](C(C[C@](C3)(O)[H])(C)C)(CC1)[H])C)(CC[C@@](O2)(CC)C)[H]
SPLASH splash10-0a4i-0096000000-b760dbda93c66f152797
Source of Spectrum B-44-487-0
Wiley ID 1323570