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1(2H)-Naphthalenone, octahydro-8a-[(methoxymethoxy)methyl]-2,5-dimethyl-5-(4-methyl-3-pentenyl)-, [2R-(2.alpha.,4a.alpha.,5.alpha., 8a.beta.)]-
SpectraBase Compound ID Ieez8KbvSMS
InChI InChI=1S/C21H36O3/c1-16(2)8-6-11-20(4)12-7-13-21(14-24-15-23-5)18(20)10-9-17(3)19(21)22/h8,17-18H,6-7,9-15H2,1-5H3/t17-,18+,20-,21-/m1/s1
InChIKey AHDSEBVMDMJCBB-KOUHRCEDSA-N
Mol Weight 336.5 g/mol
Molecular Formula C21H36O3
Exact Mass 336.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ONsXGFOXXI
Name 1(2H)-Naphthalenone, octahydro-8a-[(methoxymethoxy)methyl]-2,5-dimethyl-5-(4-methyl-3-pentenyl)-, [2R-(2.alpha.,4a.alpha.,5.alpha., 8a.beta.)]-
Alternate Name(s) (2.XI.,4aS,5S,8aS)-(+)-3,4,4a,5,6,7,8,8a-octahydro-8a-methoxymethoxymethyl-2,5-dimethyl-2,5-dimethyl-5-(4-methylpent-3-enyl)-naphthalen-1(2H)-one (2R,4aS,5S,8aS)-8a-[(methoxymethoxy)methyl]-2,5-dimethyl-5-(4-methyl-3-pentenyl)octahydro-1(2H)-naphthalenone Octahydro-1(2H)-naphthalenone
CAS Registry Number 130929-91-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O3
InChI InChI=1S/C21H36O3/c1-16(2)8-6-11-20(4)12-7-13-21(14-24-15-23-5)18(20)10-9-17(3)19(21)22/h8,17-18H,6-7,9-15H2,1-5H3/t17-,18+,20-,21-/m1/s1
InChIKey AHDSEBVMDMJCBB-KOUHRCEDSA-N
Molecular Weight 336.516 g/mol
SMILES [C@@]12(C(=O)[C@](C)(CC[C@]2([C@@](CCC=C(C)C)(C)CCC1)[H])[H])COCOC
SPLASH splash10-00u5-9410000000-2f525abf58b9e6655729
Source of Spectrum KC-1990-1907-26
Wiley ID 1332729