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4,16-Dioxatricyclo[11.2.1.1(3,6)]heptadecane-5,11,14-trione, 17-hydroxy-1-methyl-9-(1-methylethyl)-
SpectraBase Compound ID IMvRpWAf68M
InChI InChI=1S/C19H28O6/c1-10(2)11-4-5-13-17(22)16(24-18(13)23)9-19(3)8-14(21)15(25-19)7-12(20)6-11/h10-11,13,15-17,22H,4-9H2,1-3H3/t11?,13-,15?,16+,17?,19?/m1/s1
InChIKey CTHIOLNJBOFYHJ-XOADRLGOSA-N
Mol Weight 352.43 g/mol
Molecular Formula C19H28O6
Exact Mass 352.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HPzAdsT3NT
Name 4,16-Dioxatricyclo[11.2.1.1(3,6)]heptadecane-5,11,14-trione, 17-hydroxy-1-methyl-9-(1-methylethyl)-
Alternate Name(s) (4R*,8S*,11R*,13S*,14R*)-14-hydroxy-4-isopropyl-11-methyl-6,9-dioxo-8,11-epoxycyclotetradecan-1,13-carbolactone 17-hydroxy-9-isopropyl-1-methyl-4,16-dioxatricyclo[11.2.1.1(3,6)]heptadecane-5,11,14-trione
CAS Registry Number 68902-16-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O6
InChI InChI=1S/C19H28O6/c1-10(2)11-4-5-13-17(22)16(24-18(13)23)9-19(3)8-14(21)15(25-19)7-12(20)6-11/h10-11,13,15-17,22H,4-9H2,1-3H3/t11?,13-,15?,16+,17?,19?/m1/s1
InChIKey CTHIOLNJBOFYHJ-XOADRLGOSA-N
Molecular Weight 352.427 g/mol
SMILES OC1[C@@]2(C(O[C@]1(CC1(OC(CC(CC(CC2)C(C)C)=O)C(C1)=O)C)[H])=O)[H]
SPLASH splash10-057m-9000000000-2ead91f73f246f2052da
Source of Spectrum B-31-2055-0
Wiley ID 1343193