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1,11-Ethanocyclopentacycloundecen-13-one, 5-(acetyloxy)-1,2,3,3a,4,5,6,7,8,9,10,12a-dodecahydro-14-hydroxy-1,8, 12-trimethyl-4-methylene-, [1S-(1R*,3aS*,5S*,8S*,12aR*,14S*)]-
SpectraBase Compound ID 4rWBjEQOWCt
InChI InChI=1S/C22H32O4/c1-12-6-8-17-14(3)19-16(10-11-22(19,5)21(25)20(17)24)13(2)18(9-7-12)26-15(4)23/h12,16,18-20,24H,2,6-11H2,1,3-5H3/t12-,16+,18-,19-,20-,22+/m1/s1
InChIKey GLKGKYGYUDNGIO-NTEOUPAASA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1wM6mf7TDyt
Name 1,11-Ethanocyclopentacycloundecen-13-one, 5-(acetyloxy)-1,2,3,3a,4,5,6,7,8,9,10,12a-dodecahydro-14-hydroxy-1,8, 12-trimethyl-4-methylene-, [1S-(1R*,3aS*,5S*,8S*,12aR*,14S*)]-
CAS Registry Number 78708-79-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-12-6-8-17-14(3)19-16(10-11-22(19,5)21(25)20(17)24)13(2)18(9-7-12)26-15(4)23/h12,16,18-20,24H,2,6-11H2,1,3-5H3/t12-,16+,18-,19-,20-,22+/m1/s1
InChIKey GLKGKYGYUDNGIO-NTEOUPAASA-N
Molecular Weight 360.494 g/mol
SMILES O[C@@]1(C=2CC[C@@](C)(CC[C@](C([C@]3([C@]([C@@](C1=O)(CC3)C)(C2C)[H])[H])=C)(OC(=O)C)[H])[H])[H]
SPLASH splash10-0udr-0943000000-ca4f5d85527176b3c2c3
Source of Spectrum AN-90-495-0
Synonyms (1R,3R,6R,10R,12S,15S)-10-hydroxy-6,12,16-trimethyl-2-methylene-11-oxotricyclo[7.5.2.0(12,15)]hexadec-9(16)-en-3-yl acetate 9.alpha.-acetoxy-3.alpha.-hydroxy-2-oxo-1(15),8(19)-trinervitadiene
Wiley ID 1348540