Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:21:32 UTC
Update Date2022-08-31 06:43:24 UTC
Metabolite IDMMDBc0018113
Metabolite Identification
Common Name12β-hydroxy-13α-methoxyverruculogen TR-2
DescriptionCyclotryprostatin E belongs to the class of organic compounds known as beta carbolines. Beta carbolines are compounds containing a 9H-pyrido[3,4-b]indole moiety. Based on a literature review very few articles have been published on Cyclotryprostatin E.
Structure
SynonymsNot Available
Molecular FormulaC23H29N3O6
Average Mass443.5
Monoisotopic Mass443.205635666
IUPAC Name(1S,2S,12S,15S)-1-hydroxy-12-(2-hydroxy-2-methylpropyl)-2,7-dimethoxy-10,13,19-triazapentacyclo[11.7.0.0^{3,11}.0^{4,9}.0^{15,19}]icosa-3(11),4(9),5,7-tetraene-14,20-dione
Traditional Name(1S,2S,12S,15S)-1-hydroxy-12-(2-hydroxy-2-methylpropyl)-2,7-dimethoxy-10,13,19-triazapentacyclo[11.7.0.0^{3,11}.0^{4,9}.0^{15,19}]icosa-3(11),4(9),5,7-tetraene-14,20-dione
CAS Registry NumberNot Available
SMILES
[H][C@@]12CCCN1C(=O)[C@]1(O)N(C2=O)[C@@]([H])(CC(C)(C)O)C2=C(C3=C(N2)C=C(OC)C=C3)[C@]1([H])OC
InChI Identifier
InChI=1S/C23H29N3O6/c1-22(2,29)11-16-18-17(13-8-7-12(31-3)10-14(13)24-18)19(32-4)23(30)21(28)25-9-5-6-15(25)20(27)26(16)23/h7-8,10,15-16,19,24,29-30H,5-6,9,11H2,1-4H3/t15-,16-,19-,23-/m0/s1
InChI KeyIQQGHQDLZFLSGU-YZQOHXRLSA-N