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2-Propenoic acid, 3-phenyl-, 8-[(acetyloxy)methyl]decahydro-4a-methyl-2-(1-methylethyl)-1-naphthal enyl ester, [1R-(1.alpha.,2.alpha.,4a.alpha.,8.alpha.,8a.beta.)]-
SpectraBase Compound ID HWvdLkxsuzZ
InChI InChI=1S/C26H36O4/c1-18(2)22-14-16-26(4)15-8-11-21(17-29-19(3)27)24(26)25(22)30-23(28)13-12-20-9-6-5-7-10-20/h5-7,9-10,12-13,18,21-22,24-25H,8,11,14-17H2,1-4H3/b13-12+/t21-,22+,24-,25-,26-/m1/s1
InChIKey KPCPXBNTHUGCTE-LYFIDZRCSA-N
Mol Weight 412.6 g/mol
Molecular Formula C26H36O4
Exact Mass 412.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2334kzhsrQ
Name 2-Propenoic acid, 3-phenyl-, 8-[(acetyloxy)methyl]decahydro-4a-methyl-2-(1-methylethyl)-1-naphthal enyl ester, [1R-(1.alpha.,2.alpha.,4a.alpha.,8.alpha.,8a.beta.)]-
CAS Registry Number 66148-37-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O4
InChI InChI=1S/C26H36O4/c1-18(2)22-14-16-26(4)15-8-11-21(17-29-19(3)27)24(26)25(22)30-23(28)13-12-20-9-6-5-7-10-20/h5-7,9-10,12-13,18,21-22,24-25H,8,11,14-17H2,1-4H3/b13-12+/t21-,22+,24-,25-,26-/m1/s1
InChIKey KPCPXBNTHUGCTE-LYFIDZRCSA-N
Molecular Weight 412.570 g/mol
SMILES [C@]1([C@@]2([C@@](CCC[C@@]2(COC(=O)C)[H])(C)CC[C@]1(C(C)C)[H])[H])(OC(\C=C\c1ccccc1)=O)[H]
SPLASH splash10-0f89-0970000000-4afccf9f0316947ce975
Source of Spectrum K-111-262-0
Synonyms (1R,2S,4aR,8S,8aS)-8-[(acetyloxy)methyl]-2-isopropyl-4a-methyldecahydro-1-naphthalenyl (2E)-3-phenyl-2-propenoate 6.beta.-cinnamoyloxy-14-(methylacetoxy)eudesman
Wiley ID 1374597