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Methyl mastica - dienonate
SpectraBase Compound ID A24ZwAYvpMO
InChI InChI=1S/C31H48O3/c1-20(10-9-11-21(2)27(33)34-8)22-14-18-31(7)24-12-13-25-28(3,4)26(32)16-17-29(25,5)23(24)15-19-30(22,31)6/h11-12,20,22-23,25H,9-10,13-19H2,1-8H3/b21-11+/t20-,22-,23?,25?,29-,30+,31-/m1/s1
InChIKey PHFHKTUUXFZBJK-KZCZHXPASA-N
Mol Weight 468.7 g/mol
Molecular Formula C31H48O3
Exact Mass 468.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gJLBRPwPPz
Name Methyl mastica - dienonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H48O3
InChI InChI=1S/C31H48O3/c1-20(10-9-11-21(2)27(33)34-8)22-14-18-31(7)24-12-13-25-28(3,4)26(32)16-17-29(25,5)23(24)15-19-30(22,31)6/h11-12,20,22-23,25H,9-10,13-19H2,1-8H3/b21-11+/t20-,22-,23?,25?,29-,30+,31-/m1/s1
InChIKey PHFHKTUUXFZBJK-KZCZHXPASA-N
Molecular Weight 468.722 g/mol
SMILES [C@]12(C=3C([C@@]4(C(C(C(=O)CC4)(C)C)CC3)C)CC[C@]1([C@@]([C@@](CC\C=C\(C(=O)OC)C)(C)[H])(CC2)[H])C)C
SPLASH splash10-0udi-2100900000-47bec0b3f5a34d85628d
Source of Spectrum Va-0-0-0
Synonyms 3-Oxo-13.alpha.,14.beta.,17.beta.H,10.alpha.H-lanosta-7,24-dien-26 oic acid, methyl ester
Wiley ID 741846