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6,16-Dioxatricyclo[11.2.1.15,8]heptadeca-2,8(17),13,15-tetraen-7-one, 3,14-dimethyl-11-(1-methylethenyl)-, (2Z,5R*,11S*)-(+)-
SpectraBase Compound ID 4cNomrL4Pxm
InChI InChI=1S/C20H24O3/c1-12(2)15-5-6-16-10-18(23-20(16)21)8-13(3)7-17-9-14(4)19(11-15)22-17/h7,9-10,15,18H,1,5-6,8,11H2,2-4H3/b13-7-/t15-,18+/m0/s1
InChIKey TTZXKHUXCFKQHN-XHTFOQECSA-N
Mol Weight 312.41 g/mol
Molecular Formula C20H24O3
Exact Mass 312.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCALKqzAUMo
Name 6,16-Dioxatricyclo[11.2.1.15,8]heptadeca-2,8(17),13,15-tetraen-7-one, 3,14-dimethyl-11-(1-methylethenyl)-, (2Z,5R*,11S*)-(+)-
Alternate Name(s) (+)-Rubifolide (5R,11S)-11-isopropenyl-3,14-dimethyl-6,16-dioxatricyclo[11.2.1.1(5,8)]heptadeca-1(15),2,8(17),13-tetraen-7-one Rubifolide
CAS Registry Number 106231-29-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O3
InChI InChI=1S/C20H24O3/c1-12(2)15-5-6-16-10-18(23-20(16)21)8-13(3)7-17-9-14(4)19(11-15)22-17/h7,9-10,15,18H,1,5-6,8,11H2,2-4H3/b13-7-/t15-,18+/m0/s1
InChIKey TTZXKHUXCFKQHN-XHTFOQECSA-N
Molecular Weight 312.409 g/mol
SMILES c12oc(\C=C/(C[C@@]3([H])OC(C(CC[C@@](C2)(C(=C)C)[H])=C3)=O)C)cc1C
SPLASH splash10-0002-4912000000-fcd5d53dae201277907a
Source of Spectrum J-52-335-3
Wiley ID 1313693