Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 02:39:27 UTC
Update Date2022-08-31 06:31:47 UTC
Metabolite IDMMDBc0010495
Metabolite Identification
Common NameTeraspiridole D
DescriptionTeraspiridole D belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Based on a literature review very few articles have been published on Teraspiridole D.
Structure
SynonymsNot Available
Molecular FormulaC34H44N2O6
Average Mass576.734
Monoisotopic Mass576.319937145
IUPAC Name(1''R,2''R,8''R,9'S,9'aS,10''S,11''R,12''S,16''S)-2'',7'',7'',11'',16''-pentamethyl-3',5''-dioxo-3',9'a-dihydro-1'H-dispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[6,15]dioxatetracyclo[9.7.0.0^{2,8}.0^{12,16}]octadecane]-10''-yl acetate
Traditional Name(1''R,2''R,8''R,9'S,9'aS,10''S,11''R,12''S,16''S)-2'',7'',7'',11'',16''-pentamethyl-3',5''-dioxo-1',9'a-dihydrodispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[6,15]dioxatetracyclo[9.7.0.0^{2,8}.0^{12,16}]octadecane]-10''-yl acetate
CAS Registry NumberNot Available
SMILES
[H][C@]12NC3(CC3)C(=O)N1C1=CC=CC=C1[C@@]21C[C@]2([H])[C@](C)(CC[C@]3([H])[C@@]4(C)CCC(=O)OC(C)(C)[C@]4([H])C[C@]([H])(OC(C)=O)[C@@]23C)O1
InChI Identifier
InChI=1S/C34H44N2O6/c1-19(37)40-25-17-23-29(2,3)41-26(38)12-13-30(23,4)22-11-14-31(5)24(32(22,25)6)18-34(42-31)20-9-7-8-10-21(20)36-27(34)35-33(15-16-33)28(36)39/h7-10,22-25,27,35H,11-18H2,1-6H3/t22-,23+,24-,25+,27+,30-,31+,32-,34+/m1/s1
InChI KeyNYVFUDQEAURUPX-YKJMMZEYSA-N