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1(2H)-Naphthalenone, octahydro-2-(hydroxymethylene)-5,5,8a-trimethyl-6-(phenylmethoxy)-, (4a.alpha.,6.beta.,8a.beta.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

1(2H)-Naphthalenone, octahydro-2-(hydroxymethylene)-5,5,8a-trimethyl-6-(phenylmethoxy)-, (4a.alpha.,6.beta.,8a.beta.)-(.+-.)-
SpectraBase Compound ID CO9LzfKz8dk
InChI InChI=1S/C21H28O3/c1-20(2)17-10-9-16(13-22)19(23)21(17,3)12-11-18(20)24-14-15-7-5-4-6-8-15/h4-8,13,17-18,22H,9-12,14H2,1-3H3/b16-13+/t17-,18-,21-/m0/s1
InChIKey SWRCRLBOZUGSBU-OMBXADQPSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lb2cTPkXh2r
Name 1(2H)-Naphthalenone, octahydro-2-(hydroxymethylene)-5,5,8a-trimethyl-6-(phenylmethoxy)-, (4a.alpha.,6.beta.,8a.beta.)-(.+-.)-
CAS Registry Number 86547-38-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-20(2)17-10-9-16(13-22)19(23)21(17,3)12-11-18(20)24-14-15-7-5-4-6-8-15/h4-8,13,17-18,22H,9-12,14H2,1-3H3/b16-13+/t17-,18-,21-/m0/s1
InChIKey SWRCRLBOZUGSBU-OMBXADQPSA-N
Molecular Weight 328.452 g/mol
SMILES O\C=C\1C([C@@]2([C@](C(C)(C)[C@](CC2)(OCc2ccccc2)[H])(CC1)[H])C)=O
SPLASH splash10-0006-9000000000-3020f8a374182cc3e778
Source of Spectrum H-66-766-0
Synonyms (2E,4aS,6S,8aS)-6-(benzyloxy)-2-(hydroxymethylene)-5,5,8a-trimethyloctahydro-1(2H)-naphthalenone 6.beta.-benzyloxy-2-hydroxymethylidene-5,5,8.alpha.beta.-trimethyl-trans-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1(2H)-one
Wiley ID 1326672