Dataset

Solasodine base + 2H, O-Hex-Hex-Hex-(C5H10O5)

This MassBank record with Accession MSBNK-RIKEN-PR310722 contains the MS2 mass spectrum of Solasodine base + 2H, O-Hex-Hex-Hex-(C5H10O5) with the InChIkey VTANYFPAYZXUQR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C50H85NO22/c1-20-7-12-50(51-15-20)21(2)32-29(73-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)67-45-40(64)37(61)41(31(18-54)69-45)70-47-43(66-19-28(56)34(58)33(57)27(55)16-52)42(35(59)30(17-53)68-47)71-46-39(63)36(60)38(62)44(65)72-46/h20-47,51-65H,5-19H2,1-4H3
SMILES CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(O)C(O)C(O)C4O)C3OCC(O)C(O)C(O)C(O)CO)C(O)C2O)OC11CCC(C)CN1
InChI Key VTANYFPAYZXUQR-UHFFFAOYSA-N
Molecular Formula C50H85NO22
Exact Mass 1052.215 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-PR310722
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:39:19.434721
MetadataModified 2024-01-11T20:39:19.626224
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
139292111 PubChem
The data in this table is sourced from UniChem at EBI.