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2-(4B,8,8,10A-Tetramethyl-2-methylenetetradecahydrophenanthren-1-yl)acetic acid

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2-(4B,8,8,10A-Tetramethyl-2-methylenetetradecahydrophenanthren-1-yl)acetic acid
SpectraBase Compound ID I5sJ3LZX4JL
InChI InChI=1S/C21H34O2/c1-14-7-8-17-20(4,15(14)13-18(22)23)12-9-16-19(2,3)10-6-11-21(16,17)5/h15-17H,1,6-13H2,2-5H3,(H,22,23)
InChIKey KBJOZJOQKIKCNS-UHFFFAOYSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GwNNVgMQ01q
Name 2-(4B,8,8,10A-Tetramethyl-2-methylenetetradecahydrophenanthren-1-yl)acetic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.255880333 u
Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-14-7-8-17-20(4,15(14)13-18(22)23)12-9-16-19(2,3)10-6-11-21(16,17)5/h15-17H,1,6-13H2,2-5H3,(H,22,23)
InChIKey KBJOZJOQKIKCNS-UHFFFAOYSA-N
Molecular Weight 318.501 g/mol
SMILES C(CC1C(CCC2C1(C)CCC1C2(CCCC1(C)C)C)=C)(=O)O