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9-(Hydroxymethyl)-6-methyl-6-(3-hydroxypropynyl)-3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-6H-dibenzo[bc]pyran-1-ol

View entire compound with spectra: 1 MS (GC)

9-(Hydroxymethyl)-6-methyl-6-(3-hydroxypropynyl)-3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-6H-dibenzo[bc]pyran-1-ol
SpectraBase Compound ID BKnoBcfa0LK
InChI InChI=1S/C27H40O4/c1-5-6-7-8-12-26(2,3)20-16-23(30)25-21-15-19(18-29)10-11-22(21)27(4,13-9-14-28)31-24(25)17-20/h16-17,19,21-22,28-30H,5-8,10-12,14-15,18H2,1-4H3/t19-,21?,22-,27+/m1/s1
InChIKey FFRHKSZKZQWCOY-CQARLQSVSA-N
Mol Weight 428.6 g/mol
Molecular Formula C27H40O4
Exact Mass 428.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79hClRhuXFm
Name 9-(Hydroxymethyl)-6-methyl-6-(3-hydroxypropynyl)-3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-6H-dibenzo[bc]pyran-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O4
InChI InChI=1S/C27H40O4/c1-5-6-7-8-12-26(2,3)20-16-23(30)25-21-15-19(18-29)10-11-22(21)27(4,13-9-14-28)31-24(25)17-20/h16-17,19,21-22,28-30H,5-8,10-12,14-15,18H2,1-4H3/t19-,21?,22-,27+/m1/s1
InChIKey FFRHKSZKZQWCOY-CQARLQSVSA-N
Molecular Weight 428.613 g/mol
SMILES OC[C@@]1(CC[C@@]2(C(c3c(cc(cc3O[C@]2(C#CCO)C)C(CCCCCC)(C)C)O)C1)[H])[H]
SPLASH splash10-004l-9112500000-9c53a265d550d1535488
Source of Spectrum J-65-6582-1
Wiley ID 1533379