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2-Pentenoic acid, 3-methyl-5-[1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-7-[(2-methyl-1-oxo-2-butenyl)oxy]-1-naphthalenyl]-, methyl ester, [1S-[1.alpha.,4a.beta.,7.beta.(Z),8a.alpha.]]-
SpectraBase Compound ID 2CPr1JYrTTK
InChI InChI=1S/C26H40O4/c1-9-18(3)24(28)30-20-15-25(5,6)22-13-11-19(4)21(26(22,7)16-20)12-10-17(2)14-23(27)29-8/h9,11,14,20-22H,10,12-13,15-16H2,1-8H3/b17-14-,18-9-/t20-,21+,22-,26+/m1/s1
InChIKey XAIKPXIFLWAAQZ-AZAKZPJFSA-N
Mol Weight 416.6 g/mol
Molecular Formula C26H40O4
Exact Mass 416.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3QvT6VUhD4
Name 2-Pentenoic acid, 3-methyl-5-[1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-7-[(2-methyl-1-oxo-2-butenyl)oxy]-1-naphthalenyl]-, methyl ester, [1S-[1.alpha.,4a.beta.,7.beta.(Z),8a.alpha.]]-
CAS Registry Number 63147-22-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-9-18(3)24(28)30-20-15-25(5,6)22-13-11-19(4)21(26(22,7)16-20)12-10-17(2)14-23(27)29-8/h9,11,14,20-22H,10,12-13,15-16H2,1-8H3/b17-14-,18-9-/t20-,21+,22-,26+/m1/s1
InChIKey XAIKPXIFLWAAQZ-AZAKZPJFSA-N
Molecular Weight 416.602 g/mol
SMILES [C@]12([C@@](C(C)(C)C[C@@](OC(\C(=C/C)C)=O)(C2)[H])(CC=C([C@@]1(CC\C(=C/C(=O)OC)C)[H])C)[H])C
SPLASH splash10-0a59-9001000000-002d8949450478a3b292
Source of Spectrum K-110-1328-0
Synonyms Methyl (2Z)-5-((1S,4aR,7R,8aR)-2,5,5,8a-tetramethyl-7-{[(2Z)-2-methyl-2-butenoyl]oxy}-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl)-3-methyl-2-pentenoate Methyl dendroidinoic acid
Wiley ID 1376544