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13-hydroxy-14,15,16,20-tetranorlabdan-8-one
SpectraBase Compound ID 5FGXsvgpQ02
InChI InChI=1S/C16H28O2/c1-15(2)9-5-10-16(3)12(6-4-11-17)13(18)7-8-14(15)16/h12,14,17H,4-11H2,1-3H3/t12-,14-,16+/m0/s1
InChIKey QXPPLMROMVTKLP-DUVNUKRYSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZKDjHrqKxG
Name 13-hydroxy-14,15,16,20-tetranorlabdan-8-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-15(2)9-5-10-16(3)12(6-4-11-17)13(18)7-8-14(15)16/h12,14,17H,4-11H2,1-3H3/t12-,14-,16+/m0/s1
InChIKey QXPPLMROMVTKLP-DUVNUKRYSA-N
Literature Reference DOI 10.1002/hlca.19800630721
Molecular Weight 252.398 g/mol
SMILES OCCC[C@]1(C(CC[C@@]2([C@@]1(CCCC2(C)C)C)[H])=O)[H]
SPLASH splash10-00lr-7390000000-9c82b4ddaca002042ec1
Source of Spectrum H-63-1941-20
Synonyms (1R,4aS,8aS)-1-(3-hydroxypropyl)-5,5,8a-trimethyloctahydronaphthalen-2(1H)-one
Wiley ID 1797496