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Methyl 12-[3'-(3''-(methoxyphenyl)-3'-oxopropanoyl]dehydroabietate
SpectraBase Compound ID KRV3Qjisxw1
InChI InChI=1S/C31H38O5/c1-19(2)23-16-20-11-12-28-30(3,13-8-14-31(28,4)29(34)36-6)25(20)17-24(23)27(33)18-26(32)21-9-7-10-22(15-21)35-5/h7,9-10,15-17,19,28H,8,11-14,18H2,1-6H3/t28?,30-,31+/m1/s1
InChIKey QSORJXNRSQPQKW-DKPRNJSOSA-N
Mol Weight 490.6 g/mol
Molecular Formula C31H38O5
Exact Mass 490.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID olPDErDAZL
Name Methyl 12-[3'-(3''-(methoxyphenyl)-3'-oxopropanoyl]dehydroabietate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H38O5
InChI InChI=1S/C31H38O5/c1-19(2)23-16-20-11-12-28-30(3,13-8-14-31(28,4)29(34)36-6)25(20)17-24(23)27(33)18-26(32)21-9-7-10-22(15-21)35-5/h7,9-10,15-17,19,28H,8,11-14,18H2,1-6H3/t28?,30-,31+/m1/s1
InChIKey QSORJXNRSQPQKW-DKPRNJSOSA-N
Molecular Weight 490.640 g/mol
SMILES [C@]12(c3cc(c(C(C)C)cc3CCC1[C@@](C(=O)OC)(CCC2)C)C(CC(c1cc(OC)ccc1)=O)=O)C
SPLASH splash10-000f-3529400000-cd7fa30d39abd1e19e40
Source of Spectrum AH-129-1193-7
Wiley ID 770462