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Naphth[1,2-d]oxepin-4(2H)-one, dodecahydro-5a-hydroxy-8,8,11a-trimethyl-, [5aR-(5a.alpha.,7a.beta.,11a.alpha.,11b.beta.)]-

View entire compound with spectra: 1 MS (GC)

Naphth[1,2-d]oxepin-4(2H)-one, dodecahydro-5a-hydroxy-8,8,11a-trimethyl-, [5aR-(5a.alpha.,7a.beta.,11a.alpha.,11b.beta.)]-
SpectraBase Compound ID I2dTLAWXwIG
InChI InChI=1S/C17H28O3/c1-15(2)7-4-8-16(3)12(15)5-9-17(19)11-14(18)20-10-6-13(16)17/h12-13,19H,4-11H2,1-3H3/t12-,13+,16-,17+/m0/s1
InChIKey GETUJISIJKQHAU-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 GJTX8e4DbYS
Name Naphth[1,2-d]oxepin-4(2H)-one, dodecahydro-5a-hydroxy-8,8,11a-trimethyl-, [5aR-(5a.alpha.,7a.beta.,11a.alpha.,11b.beta.)]-
Alternate Name(s) (5aR,7aS,11aS,11bR)-5a-hydroxy-8,8,11a-trimethyldodecahydronaphtho[1,2-d]oxepin-4(2H)-one 8.beta.-hydroxypodocarpane-13,12-carbolactone
CAS Registry Number 72009-94-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-15(2)7-4-8-16(3)12(15)5-9-17(19)11-14(18)20-10-6-13(16)17/h12-13,19H,4-11H2,1-3H3/t12-,13+,16-,17+/m0/s1
InChIKey GETUJISIJKQHAU-UWWPHRKUSA-N
Molecular Weight 280.408 g/mol
SMILES O[C@]12[C@@]([C@@]3([C@](C(C)(C)CCC3)(CC1)[H])C)(CCOC(C2)=O)[H]
SPLASH splash10-0a4i-9330000000-90cd271ab7ffb6af22aa
Source of Spectrum B-34-1281-0
Wiley ID 1284164