CHEBI:180993 - Teraspiridole A_130090

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Teraspiridole A_130090
ChEBI ID CHEBI:180993
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H42N2O6
Net Charge 0
Average Mass 562.707
Monoisotopic Mass 562.30429
InChI InChI=1S/C33H42N2O6/c1-18-27(38)35-21-11-9-8-10-20(21)33(28(35)34-18)17-24-31(6,41-33)15-12-22-30(5)14-13-26(37)40-29(3,4)23(30)16-25(32(22,24)7)39-19(2)36/h8-11,13-14,18,22-25,28,34H,12,15-17H2,1-7H3
InChIKey VMDRKPOWEASMAD-UHFFFAOYSA-N
SMILES O1C2(C(C3(C(C4(C(CC3OC(=O)C)C(OC(=O)C=C4)(C)C)C)CC2)C)CC15C6N(C=7C5=CC=CC7)C(=O)C(N6)C)C
ChEBI Ontology
Outgoing Teraspiridole A_130090 (CHEBI:180993) is a naphthofuran (CHEBI:39270)
IUPAC Name
(2',3b,6,6,10a,12a-hexamethyl-1',8-dioxospiro[3,3a,4,5,5a,10b,11,12-octahydro-[1]benzouro[5,4-g][2]benzoxepine-2,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-4-yl) acetate