Dataset

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

This MassBank record with Accession MSBNK-RIKEN-PR308988 contains the MS2 mass spectrum of Furostane base -2H + 1O, O-Hex, O-Pen-Pen-dHex with the InChIkey GWOZWWNUSXSLBU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C49H80O22/c1-19(16-63-43-39(60)37(58)35(56)30(15-50)67-43)8-11-49(62)20(2)32-29(71-49)14-26-24-7-6-22-12-23(51)13-31(48(22,5)25(24)9-10-47(26,32)4)68-46-42(70-45-40(61)36(57)33(54)21(3)66-45)41(28(53)18-65-46)69-44-38(59)34(55)27(52)17-64-44/h6,19-21,23-46,50-62H,7-18H2,1-5H3
SMILES OCC9OC(OCC(C)CCC7(O)(OC6CC5C8CC=C4CC(O)CC(OC3OCC(O)C(OC1OCC(O)C(O)C1(O))C3(OC2OC(C)C(O)C(O)C2(O)))C4(C)C8(CCC5(C)C6C7(C))))C(O)C(O)C9(O)
InChI Key GWOZWWNUSXSLBU-UHFFFAOYSA-N
Molecular Formula C49H80O22
Exact Mass 1021.157 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-PR308988
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:28:44.960937
MetadataModified 2025-02-09T18:23:09.519219
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
139291869 PubChem
The data in this table is sourced from UniChem at EBI.