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(1S,3aS,4S,5R,7aS)-4-(5-hydroxy-2-methylphenethyl)-1-((S)-2-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-1H-inden-5-ol

View entire compound with spectra: 1 MS (GC)

(1S,3aS,4S,5R,7aS)-4-(5-hydroxy-2-methylphenethyl)-1-((S)-2-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-1H-inden-5-ol
SpectraBase Compound ID 9Q6uF1cgOOu
InChI InChI=1S/C27H44O3/c1-18(2)7-6-15-27(5,30)25-13-12-23-22(24(29)14-16-26(23,25)4)11-9-20-17-21(28)10-8-19(20)3/h8,10,17-18,22-25,28-30H,6-7,9,11-16H2,1-5H3/t22-,23-,24+,25-,26-,27-/m0/s1
InChIKey KTYZDHZUHRTLRD-DSKHAUODSA-N
Mol Weight 416.6 g/mol
Molecular Formula C27H44O3
Exact Mass 416.329045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FI6fwVXDpjs
Name (1S,3aS,4S,5R,7aS)-4-(5-hydroxy-2-methylphenethyl)-1-((S)-2-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-1H-inden-5-ol
Alternate Name(s) Astrogorgol K
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O3
InChI InChI=1S/C27H44O3/c1-18(2)7-6-15-27(5,30)25-13-12-23-22(24(29)14-16-26(23,25)4)11-9-20-17-21(28)10-8-19(20)3/h8,10,17-18,22-25,28-30H,6-7,9,11-16H2,1-5H3/t22-,23-,24+,25-,26-,27-/m0/s1
InChIKey KTYZDHZUHRTLRD-DSKHAUODSA-N
Molecular Weight 416.646 g/mol
SMILES O[C@]([C@]1(CC[C@@]2([C@@]1(CC[C@]([C@]2(CCc1cc(ccc1C)O)[H])(O)[H])C)[H])[H])(CCCC(C)C)C
SPLASH splash10-00e9-1910000000-e2b90fb784c98167469a
Source of Spectrum Daowan Lai, et al. Bioorganic & Medicinal Chemistry, V.19, 2011, P.6873-6880
Wiley ID 1817346