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TINGENONE
SpectraBase Compound ID A0kDgtdgmri
InChI InChI=1S/C28H36O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h7-8,14,16,23,31H,9-13,15H2,1-6H3/t16-,23-,25+,26+,27-,28+/m1/s1
InChIKey WSTYNZDAOAEEKG-GWJSGULQSA-N
Mol Weight 420.6 g/mol
Molecular Formula C28H36O3
Exact Mass 420.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6KB6XI3AT0
Name D:A-Friedo-24,30-dinoroleana-1(10),3,5,7-tetraene-2,21-dione, 3-hydroxy-, (20.beta.)-
Alternate Name(s) Tingenone 4,6b,8a,11,12b,14a-hexamethyl-4,7,8,8a,9,11,12,12a,12b,13,14,14a-dodecahydro-2,3,10(6bH)-picenetrione D:a-friedo-24,30-dinoroleana-1(10),3,5,7-tetraene-2,21-dione, 3-hydroxy-, (20-beta)- Maitenin Maytenin Tingenin A Tingenon 3-HYDROXY-2,21-DIOXO-3,5,7,10(1),14(15)-PENTAEN(14-15)-D:A-FRIEDO-24,29-DINOROLEANANE NSC 608781
CAS Registry Number 50802-21-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36O3
InChI InChI=1S/C28H36O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h7-8,14,16,23,31H,9-13,15H2,1-6H3/t16-,23-,25+,26+,27-,28+/m1/s1
InChIKey WSTYNZDAOAEEKG-GWJSGULQSA-N
Molecular Weight 420.593 g/mol
SMILES OC=1C(C=C2[C@]3(C([C@]4(CC[C@@]5([C@]([C@@]4(CC3)C)(C[C@](C(=O)C5)(C)[H])[H])C)C)=CC=C2C1C)C)=O
SPLASH splash10-0udi-5290100000-899b84973d4c8d8890fd
Source of Spectrum X2-57-5-1
Wiley ID 1605324