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3-BETA-ACETOXY-7,15-ISOPIMARADIENE
SpectraBase Compound ID D9tvsa1RU98
InChI InChI=1S/C22H34O2/c1-7-21(5)12-10-17-16(14-21)8-9-18-20(3,4)19(24-15(2)23)11-13-22(17,18)6/h7-8,17-19H,1,9-14H2,2-6H3/t17-,18-,19-,21-,22+/m0/s1
InChIKey TWXPWNHFRJZTOJ-YOWRRBNZSA-N
Mol Weight 330.5 g/mol
Molecular Formula C22H34O2
Exact Mass 330.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1D0NPT6sAx3
Name (2S,4aR,4bS,7S,10aR)-1,1,4a,7-tetramethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-2-yl acetate
Alternate Name(s) 3b-Acetoxy-7,15-isopimaradiene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O2
InChI InChI=1S/C22H34O2/c1-7-21(5)12-10-17-16(14-21)8-9-18-20(3,4)19(24-15(2)23)11-13-22(17,18)6/h7-8,17-19H,1,9-14H2,2-6H3/t17-,18-,19-,21-,22+/m0/s1
InChIKey TWXPWNHFRJZTOJ-YOWRRBNZSA-N
Molecular Weight 330.512 g/mol
SMILES C1[C@@](C([C@]2([C@](C1)([C@@]1(C(=CC2)C[C@](CC1)(C=C)C)[H])C)[H])(C)C)(OC(=O)C)[H]
SPLASH splash10-0a59-2693000000-e751de9220c12314b2cd
Source of Spectrum Patricia Rijo, et al. Phytochemistry, V. 70, 2009, P.1161-1165
Wiley ID 1817578