Dataset

Furostane base + 2O, O-Hex, O-Hex

This MassBank record with Accession MSBNK-RIKEN-PR310702 contains the MS2 mass spectrum of Furostane base + 2O, O-Hex, O-Hex with the InChIkey URCCSSSNMZAVQK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C39H66O16/c1-17(16-51-34-32(47)30(45)28(43)25(14-40)53-34)5-10-39(50)18(2)27-23(55-39)11-21-19-6-9-38(49)13-24(52-35-33(48)31(46)29(44)26(15-41)54-35)22(42)12-37(38,4)20(19)7-8-36(21,27)3/h17-35,40-50H,5-16H2,1-4H3
SMILES OCC7OC(OCC(C)CCC4(O)(OC3CC2C5CCC6(O)(CC(OC1OC(CO)C(O)C(O)C1(O))C(O)CC6(C)(C5(CCC2(C)C3C4(C))))))C(O)C(O)C7(O)
InChI Key URCCSSSNMZAVQK-UHFFFAOYSA-N
Molecular Formula C39H66O16
Exact Mass 790.941 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310702
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:10:57.194639
MetadataModified 2025-02-09T18:31:45.221304
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
72982328 PubChem
The data in this table is sourced from UniChem at EBI.