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(5R)-1,3,3-Trimethyl-5-acetoxy-2-[3',7',12'-trimethyl-16'-formylheptadeca-3',5',7',9',11',13',15-heptaen-1'-ynyl]-cyclohex-1-ene

View entire compound with spectra: 1 MS (GC)

(5R)-1,3,3-Trimethyl-5-acetoxy-2-[3',7',12'-trimethyl-16'-formylheptadeca-3',5',7',9',11',13',15-heptaen-1'-ynyl]-cyclohex-1-ene
SpectraBase Compound ID C6cyd0XHcVY
InChI InChI=1S/C32H40O3/c1-24(13-9-10-14-25(2)16-12-18-27(4)23-33)15-11-17-26(3)19-20-31-28(5)21-30(35-29(6)34)22-32(31,7)8/h9-18,23,30H,21-22H2,1-8H3/b10-9+,15-11+,16-12+,24-13+,25-14+,26-17+,27-18+/t30-/m1/s1
InChIKey ZAAJNMVUTWWVFT-RSNYHBCZSA-N
Mol Weight 472.7 g/mol
Molecular Formula C32H40O3
Exact Mass 472.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IY64mPyh7G8
Name (5R)-1,3,3-Trimethyl-5-acetoxy-2-[3',7',12'-trimethyl-16'-formylheptadeca-3',5',7',9',11',13',15-heptaen-1'-ynyl]-cyclohex-1-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H40O3
InChI InChI=1S/C32H40O3/c1-24(13-9-10-14-25(2)16-12-18-27(4)23-33)15-11-17-26(3)19-20-31-28(5)21-30(35-29(6)34)22-32(31,7)8/h9-18,23,30H,21-22H2,1-8H3/b10-9+,15-11+,16-12+,24-13+,25-14+,26-17+,27-18+/t30-/m1/s1
InChIKey ZAAJNMVUTWWVFT-RSNYHBCZSA-N
Molecular Weight 472.669 g/mol
SMILES C1(C#C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C=O)C)C)C)C)=C(C[C@@](OC(=O)C)(CC1(C)C)[H])C
SPLASH splash10-00di-6220900000-eaad42c8ab7d661f8227
Source of Spectrum G4-60-617-1
Synonyms (1R)-3,5,5-trimethyl-4-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxo-3,5,7,9,11,13,15-heptadecaheptaen-1-ynyl]-3-cyclohexen-1-yl acetate 1,3,3-Trimethyl-5-acetoxy-2-[3',7',11',15'-tetramethyl-16'-formylheptadeca-3',5',7',9',11',13',15-heptaen-1'-ynyl]-cyclohex-1-ene Acetic acid[(1R)-3,5,5-trimethyl-4-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxoheptadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]-1-cyclohex-3-enyl]ester Acetic acid[(1R)-4-[(3E,5E,7E,9E,11E,13E,15E)-17-keto-3,7,12,16-tetramethyl-heptadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]-3,5,5-trimethyl-cyclohex-3-en-1-yl]ester Apoalloxanthinal-acetate [(1R)-3,5,5-trimethyl-4-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxidanylidene-heptadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]cyclohex-3-en-1-yl]ethanoate [(1R)-3,5,5-trimethyl-4-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxo-heptadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]cyclohex-3-en-1-yl]acetate Acetic acid [(1R)-3,5,5-trimethyl-4-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxoheptadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]-1-cyclohex-3-enyl] ester [(1R)-3,5,5-trimethyl-4-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxoheptadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]cyclohex-3-en-1-yl] acetate [(1R)-3,5,5-trimethyl-4-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxo-heptadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]cyclohex-3-en-1-yl] acetate [(1R)-3,5,5-trimethyl-4-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxidanylidene-heptadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]cyclohex-3-en-1-yl] ethanoate
Wiley ID 1606718