CHEBI:181023 - Okaramine D_120149

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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 Okaramine D_120149
ChEBI ID CHEBI:181023
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C33H34N4O6
Net Charge 0
Average Mass 582.657
Monoisotopic Mass 582.24783
InChI InChI=1S/C33H34N4O6/c1-29(2)14-15-35-23(16-19-18-10-6-8-12-21(18)34-25(19)29)26(39)37-32(42,28(35)40)27(43-5)31(41)20-11-7-9-13-22(20)36-30(3,4)24(17-38)33(31,36)37/h6-16,24,27,34,38,41-42H,17H2,1-5H3/b15-14-,23-16-/t24-,27+,31+,32+,33+/m0/s1
InChIKey VIKRIYAAOWJXCT-RSWHNJNYSA-N
SMILES O[C@]12[C@]3(N(C([C@@H]3CO)(C)C)C=4C1=CC=CC4)N5[C@@](O)([C@@H]2OC)C(=O)N6C(C5=O)=CC7=C(NC=8C7=CC=CC8)C(C=C6)(C)C
ChEBI Ontology
Outgoing Okaramine D_120149 (CHEBI:181023) is a pyrroloindole (CHEBI:48133)
IUPAC Name
(1Z,4R,5S,14S,15R,16R,19Z)-14,16-dihydroxy-5-(hydroxymethyl)-15-methoxy-6,6,21,21-tetramethyl-3,7,18,23-tetrazaoctacyclo[16.13.0.03,16.04,7.04,14.08,13.022,30.024,29]hentriaconta-1(31),8,10,12,19,22(30),24,26,28-nonaene-2,17-dione