Dataset

1,2,6,6,10,17,20-heptamethyl-12-oxo-17-[(6-oxo-7,11-diazatricyclo[7.3.1.0<2,7> ]trideca-2,4-dien-11-yl)carbonyl]pentacyclo[12.8.0.0<2,11>.0<5,10>.0<15,20>]do cos-13-en-7-yl acetate

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80123 contains the MS mass spectrum of 1,2,6,6,10,17,20-heptamethyl-12-oxo-17-[(6-oxo-7,11-diazatricyclo[7.3.1.0 ]trideca-2,4-dien-11-yl)carbonyl]pentacyclo[12.8.0.0.0.0]do cos-13-en-7-yl acetate with the InChIkey HMHRTKUVNGAOTQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C43H60N2O5/c1-26(46)50-34-13-14-41(6)33(38(34,2)3)12-15-43(8)36(41)32(47)21-29-30-22-40(5,17-16-39(30,4)18-19-42(29,43)7)37(49)44-23-27-20-28(25-44)31-10-9-11-35(48)45(31)24-27/h9-11,21,27-28,30,33-34,36H,12-20,22-25H2,1-8H3
SMILES CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)N6CC7CC(C6)C8=CC=CC(=O)N8C7)C)C)C)C
InChI Key HMHRTKUVNGAOTQ-UHFFFAOYSA-N
Molecular Formula C43H60N2O5
Exact Mass 684.450 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80123
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:23:07.087557
MetadataModified 2024-01-11T22:23:07.243945
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4267978 PubChem
MCULE-7007120885 Mcule
8298963 eMolecules
The data in this table is sourced from UniChem at EBI.