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2-Butenoic acid, 3-methyl-, 2,6,6,9-tetramethyl-11-oxotricyclo[5.4.0.0(2,8)]undec-9-ene-3,5-diyl ester, stereoisomer
SpectraBase Compound ID In0jguv5sy0
InChI InChI=1S/C25H34O5/c1-13(2)9-19(27)29-17-12-18(30-20(28)10-14(3)4)25(8)21-15(5)11-16(26)22(25)23(21)24(17,6)7/h9-11,17-18,21-23H,12H2,1-8H3/t17?,18?,21-,22+,23-,25+/m1/s1
InChIKey ZDKCXNNOQGBPAU-ONVSGSQESA-N
Mol Weight 414.5 g/mol
Molecular Formula C25H34O5
Exact Mass 414.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCbGlEdKEMp
Name 2-Butenoic acid, 3-methyl-, 2,6,6,9-tetramethyl-11-oxotricyclo[5.4.0.0(2,8)]undec-9-ene-3,5-diyl ester, stereoisomer
Alternate Name(s) Tricyclo[5.4.0.0(2,8)]undecane, 2-butenoic acid deriv. 2,6,6,9-tetramethyl-5-[(3-methyl-2-butenoyl)oxy]-11-oxotricyclo[5.4.0.0(2,8)]undec-9-en-3-yl 3-methyl-2-butenoate 7.alpha.-methacryloyloxy- or -tiglinoyloxy-9.beta.-methacrycoyloxy-or -tiglin-oyloxy-1-oxo-.alpha.-longipinene
CAS Registry Number 65526-64-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O5
InChI InChI=1S/C25H34O5/c1-13(2)9-19(27)29-17-12-18(30-20(28)10-14(3)4)25(8)21-15(5)11-16(26)22(25)23(21)24(17,6)7/h9-11,17-18,21-23H,12H2,1-8H3/t17?,18?,21-,22+,23-,25+/m1/s1
InChIKey ZDKCXNNOQGBPAU-ONVSGSQESA-N
Molecular Weight 414.542 g/mol
SMILES [C@]12([C@@]3(C(C)=CC([C@]2([C@@]3(C(C)(C)C(CC1OC(C=C(C)C)=O)OC(C=C(C)C)=O)[H])[H])=O)[H])C
SPLASH splash10-00lr-9000000000-40cb1d8e5c94a468538f
Source of Spectrum K-110-3580-0
Wiley ID 1375536