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7(R*)-Acetoxy-4(R*),5(R*)-epoxy-11-keto-1(S*),10(S*)-cubata-8(Z),18(20)-iene
SpectraBase Compound ID 5Sdjpbo4w9D
InChI InChI=1S/C22H34O4/c1-13(2)17-11-18(14(3)4)20(25-16(6)23)12-22(7)21(26-22)9-8-15(5)10-19(17)24/h11,14-15,17,20-21H,1,8-10,12H2,2-7H3/b18-11-/t15-,17-,20+,21+,22+/m0/s1
InChIKey NNFPSPLFNGODDW-YIKODGQKSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cQOifEACzp
Name 7(R*)-Acetoxy-4(R*),5(R*)-epoxy-11-keto-1(S*),10(S*)-cubata-8(Z),18(20)-iene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-13(2)17-11-18(14(3)4)20(25-16(6)23)12-22(7)21(26-22)9-8-15(5)10-19(17)24/h11,14-15,17,20-21H,1,8-10,12H2,2-7H3/b18-11-/t15-,17-,20+,21+,22+/m0/s1
InChIKey NNFPSPLFNGODDW-YIKODGQKSA-N
Molecular Weight 362.510 g/mol
SMILES [C@]12(O[C@@]2(CC[C@@](CC([C@@](\C=C/([C@@](C1)(OC(=O)C)[H])C(C)C)(C(=C)C)[H])=O)(C)[H])[H])C
SPLASH splash10-14l0-0091000000-5b5b13a11684d2917da7
Source of Spectrum O1-63-112-1
Synonyms Acetic acid [(1R,4S,7S,8Z,10R,12R)-4,12-dimethyl-7-(1-methylethenyl)-6-oxo-9-propan-2-yl-13-oxabicyclo[10.1.0]tridec-8-en-10-yl] ester [(1R,4S,7S,8Z,10R,12R)-4,12-dimethyl-6-oxo-9-propan-2-yl-7-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridec-8-en-10-yl] acetate [(1R,4S,7S,8Z,10R,12R)-7-isopropenyl-9-isopropyl-4,12-dimethyl-6-oxo-13-oxabicyclo[10.1.0]tridec-8-en-10-yl] acetate [(1R,4S,7S,8Z,10R,12R)-4,12-dimethyl-6-oxidanylidene-9-propan-2-yl-7-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridec-8-en-10-yl] ethanoate
Wiley ID 1592563