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3-.alpha.-Hydroxy-manool
SpectraBase Compound ID AlXVLtweLLN
InChI InChI=1S/C20H34O2/c1-7-19(5,22)12-10-15-14(2)8-9-16-18(3,4)17(21)11-13-20(15,16)6/h7,15-17,21-22H,1-2,8-13H2,3-6H3/t15-,16-,17+,19-,20+/m1/s1
InChIKey BPVLHHCARIEPNP-VROUVPMXSA-N
Mol Weight 306.5 g/mol
Molecular Formula C20H34O2
Exact Mass 306.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbZTx7wTp0F
Name 3-.alpha.-Hydroxy-manool
Alternate Name(s) Manool<3-.alpha.-hydroxy->
CAS Registry Number 112239-38-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C20H34O2/c1-7-19(5,22)12-10-15-14(2)8-9-16-18(3,4)17(21)11-13-20(15,16)6/h7,15-17,21-22H,1-2,8-13H2,3-6H3/t15-,16-,17+,19-,20+/m1/s1
InChIKey BPVLHHCARIEPNP-VROUVPMXSA-N
Molecular Weight 306.490 g/mol
SMILES O[C@@](CC[C@@]1(C(CC[C@]2([C@]1(CC[C@@](C2(C)C)(O)[H])C)[H])=C)[H])(C=C)C
SPLASH splash10-000f-8920000000-b3229c5b03c4ea8d7e29
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886644