Dataset

Solasodine base + 2H, 1Acetyl, O-Hex, O-Hex-Hex-Hex-Pen

This MassBank record with Accession MSBNK-RIKEN-PR308999 contains the MS2 mass spectrum of Solasodine base + 2H, 1Acetyl, O-Hex, O-Hex-Hex-Hex-Pen with the InChIkey JNSUDLCASPZEHI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C58H95NO29/c1-21-36-30(88-58(21)35(79-22(2)64)11-23(14-59-58)19-77-51-44(73)40(69)38(67)31(15-60)81-51)13-28-26-6-5-24-12-25(7-9-56(24,3)27(26)8-10-57(28,36)4)80-53-46(75)42(71)48(33(17-62)83-53)86-55-50(87-54-45(74)41(70)39(68)32(16-61)82-54)47(76)49(34(18-63)84-55)85-52-43(72)37(66)29(65)20-78-52/h21,23-55,59-63,65-76H,5-20H2,1-4H3
SMILES CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(OC4OCC(O)C(O)C4O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11NCC(COC2OC(CO)C(O)C(O)C2O)CC1OC(C)=O
InChI Key JNSUDLCASPZEHI-UHFFFAOYSA-N
Molecular Formula C58H95NO29
Exact Mass 1270.376 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-PR308999
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:40:28.027312
MetadataModified 2025-02-09T18:29:10.107916
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
139291910 PubChem
The data in this table is sourced from UniChem at EBI.