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Methyl 13-(2'-oxopropyl)podocarpa-8,11,13-trien-16-oate
SpectraBase Compound ID 3XKOpj8UdS6
InChI InChI=1S/C21H28O3/c1-14(22)12-15-6-8-17-16(13-15)7-9-18-20(17,2)10-5-11-21(18,3)19(23)24-4/h6,8,13,18H,5,7,9-12H2,1-4H3/t18?,20-,21+/m1/s1
InChIKey IPPXYRAIQJTKDF-HBYOEVMUSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1psVLHqPD18
Name Methyl 13-(2'-oxopropyl)podocarpa-8,11,13-trien-16-oate
Alternate Name(s) Methyl (4alpha)-13-(2-oxopropyl)podocarpa-8,11,13-trien-15-oate Methyl 13-(2'-oxopropyl)podocarpa-8,11,13-trien-18-oate
CAS Registry Number 53655-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-14(22)12-15-6-8-17-16(13-15)7-9-18-20(17,2)10-5-11-21(18,3)19(23)24-4/h6,8,13,18H,5,7,9-12H2,1-4H3/t18?,20-,21+/m1/s1
InChIKey IPPXYRAIQJTKDF-HBYOEVMUSA-N
Molecular Weight 328.452 g/mol
SMILES [C@@]12(C([C@](C(=O)OC)(C)CCC2)CCc2c1ccc(CC(=O)C)c2)C
SPLASH splash10-0udi-0092000000-26de8c575b6c23103e05
Source of Spectrum J-53-3763-3
Wiley ID 1326689