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14.alpha.-Cheilanth-12-enic Methyl Ester
SpectraBase Compound ID Ai8huGNmKV3
InChI InChI=1S/C26H42O2/c1-18(17-23(27)28-7)9-11-20-19(2)10-12-22-25(20,5)16-13-21-24(3,4)14-8-15-26(21,22)6/h10,17,20-22H,8-9,11-16H2,1-7H3/b18-17+/t20-,21?,22-,25-,26-/m0/s1
InChIKey KDSPMOXSDVRGPT-YJBYEGRQSA-N
Mol Weight 386.6 g/mol
Molecular Formula C26H42O2
Exact Mass 386.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID De6lRhHqJTt
Name 14.alpha.-Cheilanth-12-enic Methyl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O2
InChI InChI=1S/C26H42O2/c1-18(17-23(27)28-7)9-11-20-19(2)10-12-22-25(20,5)16-13-21-24(3,4)14-8-15-26(21,22)6/h10,17,20-22H,8-9,11-16H2,1-7H3/b18-17+/t20-,21?,22-,25-,26-/m0/s1
InChIKey KDSPMOXSDVRGPT-YJBYEGRQSA-N
Molecular Weight 386.620 g/mol
SMILES [C@]12([C@@]([C@]3(CCCC(C3CC2)(C)C)C)(CC=C([C@@]1(CC\C(=C\C(=O)OC)C)[H])C)[H])C
SPLASH splash10-0a59-7591000000-21f19e479f6560f7e36a
Source of Spectrum F4-0-2389-6
Wiley ID 1620195