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Naphth[2,1-c]oxepin-3(2H)-one, dodecahydro-5a-hydroxy-8,8,11a-trimethyl-, [5aS-(5a.alpha.,7a.beta.,11a.alpha.,11b.beta.)]-
SpectraBase Compound ID 3saXG52lEg7
InChI InChI=1S/C17H28O3/c1-15(2)8-4-9-16(3)12(15)7-10-17(19)11-20-14(18)6-5-13(16)17/h12-13,19H,4-11H2,1-3H3/t12-,13+,16-,17+/m0/s1
InChIKey LYCMWWMDWPOWIN-UWWPHRKUSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Km9U8U6VILL
Name Naphth[2,1-c]oxepin-3(2H)-one, dodecahydro-5a-hydroxy-8,8,11a-trimethyl-, [5aS-(5a.alpha.,7a.beta.,11a.alpha.,11b.beta.)]-
Alternate Name(s) (5aS,7aS,11aS,11bR)-5a-hydroxy-8,8,11a-trimethyldodecahydronaphtho[2,1-c]oxepin-3(2H)-one 8.beta.-hydroxy-14,15,16-trinorlabdane-13,17-carbolactone
CAS Registry Number 72009-93-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-15(2)8-4-9-16(3)12(15)7-10-17(19)11-20-14(18)6-5-13(16)17/h12-13,19H,4-11H2,1-3H3/t12-,13+,16-,17+/m0/s1
InChIKey LYCMWWMDWPOWIN-UWWPHRKUSA-N
Molecular Weight 280.408 g/mol
SMILES O[C@]12[C@@]([C@@]3([C@](C(C)(C)CCC3)(CC1)[H])C)(CCC(=O)OC2)[H]
SPLASH splash10-0002-0590000000-7b2503e10f7620cb64d8
Source of Spectrum B-34-1281-0
Wiley ID 1284165