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(1R)-1-Hydroxy eudesmane
SpectraBase Compound ID 7ejvpGYnpnU
InChI InChI=1S/C22H30O4S/c1-14(2)16-10-12-21(3)17(27-15-8-6-5-7-9-15)11-13-22(25,20(24)26-4)19(21)18(16)23/h5-9,14,16-17,19,25H,10-13H2,1-4H3/t16?,17-,19?,21+,22+/m0/s1
InChIKey AKQKJFJUWQSXPD-YPHXNFNTSA-N
Mol Weight 390.54 g/mol
Molecular Formula C22H30O4S
Exact Mass 390.186481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OGJS5hWi5P
Name (1R)-1-Hydroxy eudesmane
CAS Registry Number 77462-52-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O4S
InChI InChI=1S/C22H30O4S/c1-14(2)16-10-12-21(3)17(27-15-8-6-5-7-9-15)11-13-22(25,20(24)26-4)19(21)18(16)23/h5-9,14,16-17,19,25H,10-13H2,1-4H3/t16?,17-,19?,21+,22+/m0/s1
InChIKey AKQKJFJUWQSXPD-YPHXNFNTSA-N
Molecular Weight 390.538 g/mol
SMILES O[C@]1(C2C(C(C(C)C)CC[C@@]2([C@@](Sc2ccccc2)(CC1)[H])C)=O)C(=O)OC
SPLASH splash10-0603-9871000000-872b3494e10dc038de01
Source of Spectrum J-46-2666-0
Synonyms Methyl (1R,4S,4aS)-1-hydroxy-7-isopropyl-4a-methyl-8-oxo-4-(phenylsulfanyl)decahydro-1-naphthalenecarboxylate
Wiley ID 1364848