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8.alpha.,13.beta.-dihydroxylabd-14-en-2-one
SpectraBase Compound ID 4PG6zRJIvzh
InChI InChI=1S/C20H34O3/c1-7-18(4,22)10-8-16-19(5)13-14(21)12-17(2,3)15(19)9-11-20(16,6)23/h7,15-16,22-23H,1,8-13H2,2-6H3/t15-,16+,18+,19-,20+/m0/s1
InChIKey WREZLLINNMJEKL-GRLGQGAKSA-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 LUzcti1YccI
Name 8.alpha.,13.beta.-dihydroxylabd-14-en-2-one
Alternate Name(s) (4aS,7R,8R,8aS)-7-hydroxy-8-[(3S)-3-hydroxy-3-methyl-4-pentenyl]-4,4,7,8a-tetramethyloctahydro-2(1H)-naphthalenone
CAS Registry Number 117015-25-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-7-18(4,22)10-8-16-19(5)13-14(21)12-17(2,3)15(19)9-11-20(16,6)23/h7,15-16,22-23H,1,8-13H2,2-6H3/t15-,16+,18+,19-,20+/m0/s1
InChIKey WREZLLINNMJEKL-GRLGQGAKSA-N
Molecular Weight 322.489 g/mol
SMILES O[C@@](CC[C@]1([C@@](CC[C@@]2([C@@]1(CC(CC2(C)C)=O)C)[H])(O)C)[H])(C=C)C
SPLASH splash10-0ab9-9520000000-3974a034c5d7abb1a060
Source of Spectrum H-73-2163-3
Wiley ID 1322036