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21-DEUTERO-LANOSTA-8,24-DIEN-3-YL ACETATE
SpectraBase Compound ID 2MsFLBE8LCh
InChI InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h11,22,24,27-28H,10,12-20H2,1-9H3/t22-,24-,27?,28?,30-,31-,32+/m1/s1/i3D
InChIKey BQPPJGMMIYJVBR-AYVBYNEYSA-N
Mol Weight 469.8 g/mol
Molecular Formula C32H512HO2
Exact Mass 469.403008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KZx0eSJpmf
Name 21-DEUTERO-LANOSTA-8,24-DIEN-3-YL ACETATE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 469.403007658 u
Formula C32H51[2H]O2
InChI InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h11,22,24,27-28H,10,12-20H2,1-9H3/t22-,24-,27?,28?,30-,31-,32+/m1/s1/i3D
InChIKey BQPPJGMMIYJVBR-AYVBYNEYSA-N
Molecular Weight 469.772 g/mol
Nominal Mass 469 u
Number of Peaks 334
SMILES C(C)(=O)OC1CC[C@@]2(C=3CC[C@@]4([C@](CC[C@]4(C3CCC2C1(C)C)C)([C@@](CCC=C(C)C)(C[2H])[H])[H])C)C
SPLASH splash10-00kf-9721100000-2022356e8090a62b92c3
Source File Reference LMCM-65131-832C
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms LANOSTA-8,24-DIEN-3-YL ACETATE, 21-DEUTERO- mono-deutero-(2S,11R,14R,15R)-2,6,6,11,15-pentamethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-1(10)-en-5-yl acetate
Wiley ID 8_13472