Dataset

Furostane base -2H + 1O, O-Hex, O-Hex-dHex

This MassBank record with Accession MSBNK-RIKEN-PR310714 contains the MS2 mass spectrum of Furostane base -2H + 1O, O-Hex, O-Hex-dHex with the InChIkey MYVJSVSGFJDUAQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H74O19/c1-18(17-58-42-39(36(54)33(51)28(16-47)61-42)63-40-37(55)34(52)31(49)20(3)59-40)8-11-45(57)19(2)30-26(64-45)14-25-23-7-6-21-12-22(48)13-29(44(21,5)24(23)9-10-43(25,30)4)62-41-38(56)35(53)32(50)27(15-46)60-41/h6,18-20,22-42,46-57H,7-17H2,1-5H3
SMILES OCC8OC(OCC(C)CCC5(O)(OC4CC3C6CC=C2CC(O)CC(OC1OC(CO)C(O)C(O)C1(O))C2(C)C6(CCC3(C)C4C5(C))))C(OC7OC(C)C(O)C(O)C7(O))C(O)C8(O)
InChI Key MYVJSVSGFJDUAQ-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-PR310714
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:27:12.728674
MetadataModified 2025-02-09T18:23:39.425238
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
76448345 PubChem
70122285 NMRShiftDB
The data in this table is sourced from UniChem at EBI.