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2-Hydroxymarrubiagenin methyl ester
SpectraBase Compound ID 5YLHCt25FEf
InChI InChI=1S/C21H30O5/c1-13-5-7-21(3)16(19(24)25-4)10-15(22)11-17(21)20(13,2)8-6-14-9-18(23)26-12-14/h9-10,13,15,17,22H,5-8,11-12H2,1-4H3/t13-,15?,17-,20+,21-/m1/s1
InChIKey IVKLERZNSJRXEC-MZYSVUSNSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5d7dv3GgVfC
Name 2-Hydroxymarrubiagenin methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-13-5-7-21(3)16(19(24)25-4)10-15(22)11-17(21)20(13,2)8-6-14-9-18(23)26-12-14/h9-10,13,15,17,22H,5-8,11-12H2,1-4H3/t13-,15?,17-,20+,21-/m1/s1
InChIKey IVKLERZNSJRXEC-MZYSVUSNSA-N
Molecular Weight 362.466 g/mol
SMILES OC1C=C(C(=O)OC)[C@]2(CC[C@]([C@](CCC3=CC(=O)OC3)([C@]2(C1)[H])C)(C)[H])C
SPLASH splash10-014i-0649000000-f21e35a588d3b8258c9f
Source of Spectrum K-106-2940-8
Synonyms Methyl (4aR,5S,6R,8aS)-3-hydroxy-5,6,8a-trimethyl-5-(2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
Wiley ID 1793561