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5,12-Epoxybenzocyclodecene-6,7,8,11-tetrol, tetradecahydro-7,11-dimethyl-4-methylene-1-(1-methylethyl)-, [1R-(1R*,4aR*,5S*,6S*,7R*,8S*,11R*,12R*,12aR*)]-
SpectraBase Compound ID 8NyqgaN0NyD
InChI InChI=1S/C20H34O5/c1-10(2)12-7-6-11(3)14-15(12)18-19(4,23)9-8-13(21)20(5,24)17(22)16(14)25-18/h10,12-18,21-24H,3,6-9H2,1-2,4-5H3/t12-,13+,14+,15-,16+,17?,18-,19-,20-/m1/s1
InChIKey ZBHQGPTZWGGKBC-XEMGCDDMSA-N
Mol Weight 354.5 g/mol
Molecular Formula C20H34O5
Exact Mass 354.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Lzj9CBVx1T
Name 5,12-Epoxybenzocyclodecene-6,7,8,11-tetrol, tetradecahydro-7,11-dimethyl-4-methylene-1-(1-methylethyl)-, [1R-(1R*,4aR*,5S*,6S*,7R*,8S*,11R*,12R*,12aR*)]-
Alternate Name(s) (1R,2R,3R,7R,8S,9S,10R,11S,14R)-3-isopropyl-10,14-dimethyl-6-methylene-15-oxatricyclo[6.6.1.0(2,7)]pentadecane-9,10,11,14-tetrol Sclerophytin D
CAS Registry Number 119456-13-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O5
InChI InChI=1S/C20H34O5/c1-10(2)12-7-6-11(3)14-15(12)18-19(4,23)9-8-13(21)20(5,24)17(22)16(14)25-18/h10,12-18,21-24H,3,6-9H2,1-2,4-5H3/t12-,13+,14+,15-,16+,17?,18-,19-,20-/m1/s1
InChIKey ZBHQGPTZWGGKBC-XEMGCDDMSA-N
Molecular Weight 354.487 g/mol
SMILES OC1[C@]2(O[C@@]([C@@](CC[C@@]([C@]1(O)C)(O)[H])(O)C)([C@]1([C@@]2(C(CC[C@@]1(C(C)C)[H])=C)[H])[H])[H])[H]
SPLASH splash10-05q9-8849000000-680e557092ef11319f65
Source of Spectrum J-54-1900-0
Wiley ID 1344640