Retrorsine

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Systematic / IUPAC Name: (15Z)-12,18-Dihydroxysenecionan-11,16-dione

ID: Reference2281

Other Names: β-Longilobine;
Retrorsin;
trans-15-Ethylidene-12β-hydroxy-12α-hydroxymethyl-13β-methylsenec-1-enine;
3-Ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-hydroxymethyl-5-methyl(1,6)dioxacyclododeca(2,3,4-gh)pyrrolizidine-2,7-dione;
Isatidine

Formula: C18H25NO6

Class: Natural Toxins Endogenous Metabolites

Spectral Data

Retrorsine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/31/2015 7:39:21 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-/m1/s1
InChI Key BCJMNZRQJAVDLD-CQRYIUNCSA-N
Canonical SMILES CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O)C
CAS 480546
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Other Names β-Longilobine;
Retrorsin;
trans-15-Ethylidene-12β-hydroxy-12α-hydroxymethyl-13β-methylsenec-1-enine;
3-Ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-hydroxymethyl-5-methyl(1,6)dioxacyclododeca(2,3,4-gh)pyrrolizidine-2,7-dione;
Isatidine

In Other Databases

PubChem 5281743
KEGG C10364
ChEMBL CHEMBL496894
ChemSpider 10202249