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Benzo[4,5]cyclodeca[1,2-b]furan-9(7H)-one, 4,8,8a,12,12a,13-hexahydro-12-hydroxy-1,5,8a,12-tetramethyl-, (5E,8aR*,12S*,12aR*)-(-)-
SpectraBase Compound ID BgbavSS3JUb
InChI InChI=1S/C20H26O3/c1-13-6-5-8-19(3)17(20(4,22)9-7-18(19)21)11-15-14(2)12-23-16(15)10-13/h6-7,9,12,17,22H,5,8,10-11H2,1-4H3/b13-6-/t17-,19-,20+/m1/s1
InChIKey UNWQTRIKKFHFSA-DUPLYTQVSA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfkGoJjxO3W
Name Benzo[4,5]cyclodeca[1,2-b]furan-9(7H)-one, 4,8,8a,12,12a,13-hexahydro-12-hydroxy-1,5,8a,12-tetramethyl-, (5E,8aR*,12S*,12aR*)-(-)-
CAS Registry Number 114915-33-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-13-6-5-8-19(3)17(20(4,22)9-7-18(19)21)11-15-14(2)12-23-16(15)10-13/h6-7,9,12,17,22H,5,8,10-11H2,1-4H3/b13-6-/t17-,19-,20+/m1/s1
InChIKey UNWQTRIKKFHFSA-DUPLYTQVSA-N
Molecular Weight 314.425 g/mol
SMILES O[C@@]1([C@]2([C@](C(=O)C=C1)(CC\C=C/(Cc1c(C2)c(co1)C)C)C)[H])C
SPLASH splash10-03dl-9815000000-9c24dc1d30829ae2c765
Source of Spectrum H-71-483-0
Synonyms (-)-(8aR*,12S*,12aR*,5E,10Z)-7,8,8a,12,12a,13-hexahydro-12-hydroxy-1,5,8a,12-tetramethybenzo[4,5]cyclodeca[1,2-b]furan-9(4H)-one (8aR,12S,12aR)-12-hydroxy-1,5,8a,12-tetramethyl-4,8,8a,12,12a,13-hexahydrobenzo[4,5]cyclodeca[1,2-b]furan-9(7H)-one Verecynarmin C
Wiley ID 1315427