Dataset

Furostane base -1H2O + 1O, O-Hex, O-Hex-Hex

This MassBank record with Accession MSBNK-RIKEN-PR308985 contains the MS2 mass spectrum of Furostane base -1H2O + 1O, O-Hex, O-Hex-Hex with the InChIkey QEJIXVVELVKWFA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H74O19/c1-18(17-58-41-38(56)35(53)32(50)28(14-46)61-41)5-8-25-19(2)31-27(59-25)12-23-21-7-6-20-11-26(24(49)13-45(20,4)22(21)9-10-44(23,31)3)60-43-40(37(55)34(52)30(16-48)63-43)64-42-39(57)36(54)33(51)29(15-47)62-42/h18,20-24,26-43,46-57H,5-17H2,1-4H3
SMILES OCC8OC(OCC(C)CCC=4OC5CC6C7CCC3CC(OC2OC(CO)C(O)C(O)C2(OC1OC(CO)C(O)C(O)C1(O)))C(O)CC3(C)C7(CCC6(C)(C5(C=4C))))C(O)C(O)C8(O)
InChI Key QEJIXVVELVKWFA-UHFFFAOYSA-N
Molecular Formula C45H74O19
Exact Mass 919.068 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-PR308985
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:35:12.493219
MetadataModified 2025-02-09T18:27:09.742214
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
74029754 PubChem
The data in this table is sourced from UniChem at EBI.