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(2S,4aS,10aR)-2-(hydroxymethyl)-7-isopropyl-8-methoxy-4a-methyl-1-methylene-1,2,3,4,4a,9,10,10a-octahydrophenanthren-2-ol

View entire compound with spectra: 1 MS (GC)

(2S,4aS,10aR)-2-(hydroxymethyl)-7-isopropyl-8-methoxy-4a-methyl-1-methylene-1,2,3,4,4a,9,10,10a-octahydrophenanthren-2-ol
SpectraBase Compound ID 1hmSDy0m31s
InChI InChI=1S/C21H30O3/c1-13(2)15-6-9-18-16(19(15)24-5)7-8-17-14(3)21(23,12-22)11-10-20(17,18)4/h6,9,13,17,22-23H,3,7-8,10-12H2,1-2,4-5H3/t17-,20-,21+/m0/s1
InChIKey DFGTZSSALSMTNY-DZFGPLHGSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kvydcYkDQb
Name (2S,4aS,10aR)-2-(hydroxymethyl)-7-isopropyl-8-methoxy-4a-methyl-1-methylene-1,2,3,4,4a,9,10,10a-octahydrophenanthren-2-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-13(2)15-6-9-18-16(19(15)24-5)7-8-17-14(3)21(23,12-22)11-10-20(17,18)4/h6,9,13,17,22-23H,3,7-8,10-12H2,1-2,4-5H3/t17-,20-,21+/m0/s1
InChIKey DFGTZSSALSMTNY-DZFGPLHGSA-N
Molecular Weight 330.468 g/mol
SMILES O[C@@]1(CO)CC[C@@]2(c3c(c(OC)c(cc3)C(C)C)CC[C@]2(C1=C)[H])C
SPLASH splash10-0002-0093000000-50733470bd9f8dc9d5b5
Source of Spectrum F-67-906-8
Wiley ID 1685627