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13-Hydroxy-kaur-16-en-19-oic acid
SpectraBase Compound ID 6ol24aDMcsr
InChI InChI=1S/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)
InChIKey QFVOYBUQQBFCRH-UHFFFAOYSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1R3ZWDDQYmB
Name Steviol @
CAS Registry Number 471-80-7
Classification Sweetener
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 318.219494823 u
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)
InChIKey QFVOYBUQQBFCRH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 318.457 g/mol
SMILES C1CC(C)(C2CCC34CC(CCC4C2(C)C1)(C(C3)=C)O)C(O)=O
SPLASH splash10-0600-6921000000-7594f09c072259a10f03
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Stevioside-M (steviol)
Technique GC/MS
Wiley ID MMPW6e_3342