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Oleandrin

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002667

Dataset description:

This MassBank record with Accession MSBNK-Waters-WA002667 contains the MS mass spectrum of Oleandrin with the InChIkey JLPDBLFIVFSOCC-XYXFTTADSA-N.

Source: Oleandrin; LC-ESI-Q; MS; POS; 60 V, 90 V

Chemical Info

molecular Image

InChI	InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1
SMILES	[H]C(C36[H])(C(C5)(O)C(CC6)(C)C(C5OC(C)=O)C(C4)=CC(O4)=O)CCC(C31C)([H])CC(OC(C2)OC(C(O)C(OC)2)C)CC1
InChI Key	JLPDBLFIVFSOCC-XYXFTTADSA-N
Exact Mass	576.330 g/mol

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Additional Information

Field	Value
Data last updated	January 11, 2024
Metadata last updated	January 11, 2024
Created	January 11, 2024
Format	HTML
License	Attribution-NonCommercial 4.0 International (CC BY-NC 4.0)
Id	3d818561-0cd0-4c30-88d9-bf38c63b2f8f
Package id	msbnk-waters-wa002667
Resource type	HTML
State	active