Dataset

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

This MassBank record with Accession MSBNK-RIKEN-PR308996 contains the MS2 mass spectrum of Furostane base -2H + O-Hex, O-Hex-dHex-dHex-dHex with the InChIkey DNMXAIQCSPIIAD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C57H94O26/c1-21(19-73-50-45(69)41(65)38(62)32(18-58)79-50)10-15-57(72)22(2)34-31(83-57)17-30-28-9-8-26-16-27(11-13-55(26,6)29(28)12-14-56(30,34)7)78-52-47(71)42(66)39(63)33(80-52)20-74-53-48(43(67)36(60)24(4)76-53)82-54-49(44(68)37(61)25(5)77-54)81-51-46(70)40(64)35(59)23(3)75-51/h8,21-25,27-54,58-72H,9-20H2,1-7H3
SMILES OCC%10OC(OCC(C)CCC8(O)(OC7CC6C9CC=C5CC(OC4OC(COC3OC(C)C(O)C(O)C3(OC2OC(C)C(O)C(O)C2(OC1OC(C)C(O)C(O)C1(O))))C(O)C(O)C4(O))CCC5(C)C9(CCC6(C)C7C8(C))))C(O)C(O)C%10(O)
InChI Key DNMXAIQCSPIIAD-UHFFFAOYSA-N
Molecular Formula C57H94O26
Exact Mass 1195.353 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-PR308996
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:39:50.359816
MetadataModified 2024-01-11T20:39:50.528038
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
139291829 PubChem
The data in this table is sourced from UniChem at EBI.