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2,12-bis(O-acetyl)-rosmarinine
SpectraBase Compound ID DNgY4HOgmQ5
InChI InChI=1S/C22H31NO8/c1-6-22(31-15(5)25)13(3)9-12(2)20(26)30-17-7-8-23-10-18(29-14(4)24)16(19(17)23)11-28-21(22)27/h13,16-19H,2,6-11H2,1,3-5H3/t13-,16?,17?,18?,19?,22?/m1/s1
InChIKey URGPCDWQDXFXSY-LXNIJROVSA-N
Mol Weight 437.49 g/mol
Molecular Formula C22H31NO8
Exact Mass 437.204967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vRWYhCqksi
Name 2,12-bis(O-acetyl)-rosmarinine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO8
InChI InChI=1S/C22H31NO8/c1-6-22(31-15(5)25)13(3)9-12(2)20(26)30-17-7-8-23-10-18(29-14(4)24)16(19(17)23)11-28-21(22)27/h13,16-19H,2,6-11H2,1,3-5H3/t13-,16?,17?,18?,19?,22?/m1/s1
InChIKey URGPCDWQDXFXSY-LXNIJROVSA-N
Molecular Weight 437.489 g/mol
SMILES C12N3CCC1OC(C(C[C@](C(C(OCC2C(C3)OC(=O)C)=O)(OC(=O)C)CC)(C)[H])=C)=O
SPLASH splash10-0006-9100000000-7123a843e386beee36bf
Source of Spectrum X2-54-499-16
Wiley ID 1604004