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3-Hydroxy-13[S],14,15-dinorlabd-8(17)-ene 13-(p-Methoxyphenyl)acetate

View entire compound with spectra: 2 MS (GC)

3-Hydroxy-13[S],14,15-dinorlabd-8(17)-ene 13-(p-Methoxyphenyl)acetate
SpectraBase Compound ID ETrItCyjMkE
InChI InChI=1S/C27H40O4/c1-18-7-14-23-26(3,4)24(28)15-16-27(23,5)22(18)13-8-19(2)31-25(29)17-20-9-11-21(30-6)12-10-20/h9-12,19,22-24,28H,1,7-8,13-17H2,2-6H3/t19?,22-,23-,24-,27+/m1/s1
InChIKey SFSKSTUHPXEHBY-DJMYSZGFSA-N
Mol Weight 428.6 g/mol
Molecular Formula C27H40O4
Exact Mass 428.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DeaHq9KPwtI
Name 3-Hydroxy-13[S],14,15-dinorlabd-8(17)-ene 13-(p-Methoxyphenyl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O4
InChI InChI=1S/C27H40O4/c1-18-7-14-23-26(3,4)24(28)15-16-27(23,5)22(18)13-8-19(2)31-25(29)17-20-9-11-21(30-6)12-10-20/h9-12,19,22-24,28H,1,7-8,13-17H2,2-6H3/t19?,22-,23-,24-,27+/m1/s1
InChIKey SFSKSTUHPXEHBY-DJMYSZGFSA-N
Molecular Weight 428.613 g/mol
SMILES O[C@]1(C([C@@]2([C@]([C@@](C(=C)CC2)(CCC(OC(=O)Cc2ccc(cc2)OC)C)[H])(CC1)C)[H])(C)C)[H]
SPLASH splash10-00di-1910000000-ec60df044bbe332ae48f
Source of Spectrum D9-20-1039-5
Synonyms 3-Hydroxy-13[R],14,15-dinorlabd-8(17)-ene 13-(p-Methoxyphenyl)acetate
Wiley ID 1695466