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Methyl 13-[1'-((methoxycarbonyl)methyl)-2'-oxopropyl]podocarpa-8,11,13-trien-18-oate
SpectraBase Compound ID 6iAumQxarBr
InChI InChI=1S/C24H32O5/c1-15(25)18(14-21(26)28-4)16-7-9-19-17(13-16)8-10-20-23(19,2)11-6-12-24(20,3)22(27)29-5/h7,9,13,18,20H,6,8,10-12,14H2,1-5H3/t18?,20?,23-,24+/m1/s1
InChIKey WAXVDXMNEBTIAF-CGDVCMLGSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H32O5
Exact Mass 400.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36NNCGGQcgr
Name Methyl 13-[1'-((methoxycarbonyl)methyl)-2'-oxopropyl]podocarpa-8,11,13-trien-18-oate
Alternate Name(s) Methyl (1S,4aS)-7-(1-methoxy-1,4-dioxopentan-3-yl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
CAS Registry Number 114958-33-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32O5
InChI InChI=1S/C24H32O5/c1-15(25)18(14-21(26)28-4)16-7-9-19-17(13-16)8-10-20-23(19,2)11-6-12-24(20,3)22(27)29-5/h7,9,13,18,20H,6,8,10-12,14H2,1-5H3/t18?,20?,23-,24+/m1/s1
InChIKey WAXVDXMNEBTIAF-CGDVCMLGSA-N
Molecular Weight 400.515 g/mol
SMILES [C@@]12(C([C@](C(=O)OC)(C)CCC2)CCc2c1ccc(C(C(=O)C)CC(=O)OC)c2)C
SPLASH splash10-00kf-8009100000-cb00bb8ac04025e13525
Source of Spectrum J-53-3764-4
Wiley ID 1369540