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2ovKXykFbZv
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2ovKXykFbZv
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Mass Spectrum (GC)
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Ursa-9(11),12-dien-3-yl acetate
SpectraBase Compound ID HVvO5i1xQM6
InChI InChI=1S/C32H50O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h10-11,20-21,24,26-27H,12-19H2,1-9H3/t20-,21+,24?,26?,27+,29-,30+,31-,32-/m1/s1
InChIKey AEZBHHCJDSVHSL-QEKGPAENSA-N
Mol Weight 466.8 g/mol
Molecular Formula C32H50O2
Exact Mass 466.381081 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ovKXykFbZv
Name URSA-9(11),12-DIEN-3-YL ACETATE
Copyright Copyright © 2011-2025 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 466.381080848 u
Formula C32H50O2
InChI InChI=1S/C32H50O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h10-11,20-21,24,26-27H,12-19H2,1-9H3/t20-,21+,24?,26?,27+,29-,30+,31-,32-/m1/s1
InChIKey AEZBHHCJDSVHSL-QEKGPAENSA-N
Molecular Weight 466.750 g/mol
Nominal Mass 466 u
Number of Peaks 396
SMILES C(C)(=O)OC1CC[C@@]2(C3=CC=C4[C@@]5([C@]([C@@](CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C)(C)[H])(C)[H])[H])C
SPLASH splash10-014i-5642900000-12f1bb057f76116d412b
Source File Reference LMCM-85109-851S
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms ACETIC ACID 4,4,6A,6B,8A,11,12,14B-OCTAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,14B-OCTADECAHYDRO-PICEN-3-YL ESTER (6aS,6bR,8aR,11R,12S,12aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14b-octadecahydropicen-3-yl acetate
Wiley ID 8_16648
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