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(12R)-12,16-Diacetoxylabda-7,13-dien-15,16-olide
SpectraBase Compound ID 1bD5VJSY7V6
InChI InChI=1S/C24H34O6/c1-14-8-9-20-23(4,5)10-7-11-24(20,6)18(14)13-19(28-15(2)25)17-12-21(27)30-22(17)29-16(3)26/h8,12,18-20,22H,7,9-11,13H2,1-6H3/t18-,19+,20-,22?,24+/m0/s1
InChIKey NZYZEWIAHFVZSA-RRAKCSCYSA-N
Mol Weight 418.5 g/mol
Molecular Formula C24H34O6
Exact Mass 418.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AglCxFt25PU
Name (12R)-12,16-Diacetoxylabda-7,13-dien-15,16-olide
Appearance syrup
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O6
InChI InChI=1S/C24H34O6/c1-14-8-9-20-23(4,5)10-7-11-24(20,6)18(14)13-19(28-15(2)25)17-12-21(27)30-22(17)29-16(3)26/h8,12,18-20,22H,7,9-11,13H2,1-6H3/t18-,19+,20-,22?,24+/m0/s1
InChIKey NZYZEWIAHFVZSA-RRAKCSCYSA-N
Instrument Name Hewlett-Packard HP 5989A
Ionization Type EI positive ion
Literature Reference DOI 10.1021/np010590u
Molecular Weight 418.530 g/mol
Optical Rotation [a]D24 = +14.7 (c = 0.660, CHCl3)
SMILES C1C[C@]2([C@](CC=C([C@@]2(C[C@@](OC(=O)C)(C2=CC(OC2OC(=O)C)=O)[H])[H])C)([H])C(C)(C)C1)C
SPLASH splash10-0a4l-7900000000-ae6ba8f30248834c8b1f
Sample Comments Epimeric mixture
Source of Spectrum G4-65-667-26
Wiley ID 1883653