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4,16-Dioxatricyclo[11.2.1.1(3,6)]heptadecane-5,11,14-trione, 17-(acetyloxy)-1-methyl-9-(1-methylethyl)-
SpectraBase Compound ID IjYkn4ps1zD
InChI InChI=1S/C21H30O7/c1-11(2)13-5-6-15-19(26-12(3)22)18(27-20(15)25)10-21(4)9-16(24)17(28-21)8-14(23)7-13/h11,13,15,17-19H,5-10H2,1-4H3/t13?,15-,17?,18+,19?,21?/m1/s1
InChIKey RNXFBNFDBKPAIH-UHFFFAOYSA-N
Mol Weight 394.46 g/mol
Molecular Formula C21H30O7
Exact Mass 394.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3O6dux3Tg8
Name 4,16-Dioxatricyclo[11.2.1.1(3,6)]heptadecane-5,11,14-trione, 17-(acetyloxy)-1-methyl-9-(1-methylethyl)-
CAS Registry Number 68902-17-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O7
InChI InChI=1S/C21H30O7/c1-11(2)13-5-6-15-19(26-12(3)22)18(27-20(15)25)10-21(4)9-16(24)17(28-21)8-14(23)7-13/h11,13,15,17-19H,5-10H2,1-4H3/t13?,15-,17?,18+,19?,21?/m1/s1
InChIKey RNXFBNFDBKPAIH-UHFFFAOYSA-N
Molecular Weight 394.464 g/mol
SMILES [C@]12(C(O[C@](C2OC(=O)C)(CC2(OC(CC(CC(CC1)C(C)C)=O)C(C2)=O)C)[H])=O)[H]
SPLASH splash10-014i-9200000000-421feb1dc84ee9b9e5ff
Source of Spectrum B-31-2055-0
Synonyms (4R*,8S*,11R*,13S*,14R*)-14-acetoxy-4-isopropyl-11-methyl-6,9-dioxo-8,11-epoxycyclotetradecan-1,13-carbolactone 9-isopropyl-1-methyl-5,11,14-trioxo-4,16-dioxatricyclo[11.2.1.1(3,6)]heptadec-17-yl acetate
Wiley ID 1366610