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2-[(9.alpha.)-Dodecahydro-9'-hydroxy-1'-(hydroxymethyl)-1',4'a-dimethyl-7'-(1''-methylethyl)phenanthren-9'-yl]-ethanol
SpectraBase Compound ID zVKrtya0gF
InChI InChI=1S/C22H38O3/c1-15(2)16-6-7-17-18(12-16)22(25,10-11-23)13-19-20(3,14-24)8-5-9-21(17,19)4/h12,15,17-19,23-25H,5-11,13-14H2,1-4H3/t17?,18-,19-,20-,21+,22+/m0/s1
InChIKey XIVHCTLZNWGNIJ-GCSWMAFVSA-N
Mol Weight 350.5 g/mol
Molecular Formula C22H38O3
Exact Mass 350.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ej3RIRM7yWm
Name 2-[(9.alpha.)-Dodecahydro-9'-hydroxy-1'-(hydroxymethyl)-1',4'a-dimethyl-7'-(1''-methylethyl)phenanthren-9'-yl]-ethanol
Alternate Name(s) (4beta,7alpha)-7-(2-hydroxyethyl)abiet-13-ene-7,18-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H38O3
InChI InChI=1S/C22H38O3/c1-15(2)16-6-7-17-18(12-16)22(25,10-11-23)13-19-20(3,14-24)8-5-9-21(17,19)4/h12,15,17-19,23-25H,5-11,13-14H2,1-4H3/t17?,18-,19-,20-,21+,22+/m0/s1
InChIKey XIVHCTLZNWGNIJ-GCSWMAFVSA-N
Molecular Weight 350.543 g/mol
SMILES OC[C@@]1(CCC[C@]2([C@]1(C[C@@]([C@@]1(C2CCC(=C1)C(C)C)[H])(CCO)O)[H])C)C
SPLASH splash10-001i-0019000000-88106e1660c1e5623c1f
Source of Spectrum AH-133-235-7
Wiley ID 1546634