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5,12-Epoxybenzocyclodecene-6,7,8,11-tetrol, tetradecahydro-7,11-dimethyl-4-methylene-1-(1-methylethyl)-, 11-acetate, [1R-(1R*,4aR*,5S*,6S*,7R*,8S*,11R*,12R*,12aR*)]-
SpectraBase Compound ID ApvRliSvyxV
InChI InChI=1S/C22H36O6/c1-11(2)14-8-7-12(3)16-17(14)20-21(5,28-13(4)23)10-9-15(24)22(6,26)19(25)18(16)27-20/h11,14-20,24-26H,3,7-10H2,1-2,4-6H3/t14-,15+,16+,17-,18+,19?,20-,21-,22-/m1/s1
InChIKey GZJSTRYLNZMOCK-ZWKAMHSVSA-N
Mol Weight 396.5 g/mol
Molecular Formula C22H36O6
Exact Mass 396.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxBGuwvnuIB
Name 5,12-Epoxybenzocyclodecene-6,7,8,11-tetrol, tetradecahydro-7,11-dimethyl-4-methylene-1-(1-methylethyl)-, 11-acetate, [1R-(1R*,4aR*,5S*,6S*,7R*,8S*,11R*,12R*,12aR*)]-
CAS Registry Number 119456-12-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O6
InChI InChI=1S/C22H36O6/c1-11(2)14-8-7-12(3)16-17(14)20-21(5,28-13(4)23)10-9-15(24)22(6,26)19(25)18(16)27-20/h11,14-20,24-26H,3,7-10H2,1-2,4-6H3/t14-,15+,16+,17-,18+,19?,20-,21-,22-/m1/s1
InChIKey GZJSTRYLNZMOCK-ZWKAMHSVSA-N
Molecular Weight 396.524 g/mol
SMILES OC1[C@@]([C@](CC[C@]([C@]2([C@]3([C@@]([C@@]1(O2)[H])(C(CC[C@@]3(C(C)C)[H])=C)[H])[H])[H])(OC(=O)C)C)(O)[H])(O)C
SPLASH splash10-005i-2917000000-b448647ada4c4e890eee
Source of Spectrum J-54-1900-0
Synonyms (1S,2R,6R,7R,8R,9R,12S,13R,14S)-12,13,14-trihydroxy-6-isopropyl-9,13-dimethyl-3-methylene-15-oxatricyclo[6.6.1.0(2,7)]pentadec-9-yl acetate Sclerophytin C
Wiley ID 1367489