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Labdanolide
SpectraBase Compound ID CSMlE51vDJ6
InChI InChI=1S/C20H34O3/c1-13-11-17(21)23-14(13)12-16-19(4)9-6-8-18(2,3)15(19)7-10-20(16,5)22/h13-16,22H,6-12H2,1-5H3/t13-,14+,15+,16-,19+,20-/m1/s1
InChIKey MVKVVVVWTXKNRJ-NOVNJIRXSA-N
Mol Weight 322.5 g/mol
Molecular Formula C20H34O3
Exact Mass 322.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 84s6yZAc9NM
Name Labdanolide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-13-11-17(21)23-14(13)12-16-19(4)9-6-8-18(2,3)15(19)7-10-20(16,5)22/h13-16,22H,6-12H2,1-5H3/t13-,14+,15+,16-,19+,20-/m1/s1
InChIKey MVKVVVVWTXKNRJ-NOVNJIRXSA-N
Molecular Weight 322.489 g/mol
SMILES O[C@]1([C@@]([C@@]2([C@](C(C)(C)CCC2)(CC1)[H])C)(C[C@@]1(OC(=O)C[C@]1(C)[H])[H])[H])C
SPLASH splash10-00fr-0910000000-cf66bf01ba00f424e88c
Source of Spectrum Y4-83-41-6
Synonyms (4R,5S)-5-{[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]methyl}-4-methyldihydro-2(3H)-furanone 8-Hydroxy-labdan-15(12)-olide
Wiley ID 1549922