CHEBI:223045 - Tolypocladin C

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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 Tolypocladin C
ChEBI ID CHEBI:223045
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C33H47NO7
Net Charge 0
Average Mass 569.739
Monoisotopic Mass 569.33525
InChI InChI=1S/C33H47NO7/c1-28(2,37)26-24(36)27-33(41-27)22(40-26)12-13-30(5)31(6)18(11-14-32(30,33)38)16-19-23-17(15-21(35)29(3,4)39-7)9-8-10-20(23)34-25(19)31/h8-10,18,21-22,24,26-27,34-38H,11-16H2,1-7H3/t18-,21-,22-,24+,26-,27+,30+,31+,32-,33-/m0/s1
InChIKey NFHIFZCVAFWCRC-OPZSIFNNSA-N
SMILES O1[C@H](C(O)(C)C)[C@@H](O)[C@@H]2[C@]3([C@@H]1CC[C@]4([C@@]3(O)CC[C@@H]5[C@@]4(C=6NC=7C=CC=C(C7C6C5)C[C@H](O)C(OC)(C)C)C)C)O2
Metabolite of Species Details
Tolypocladium (NCBI:txid29909) See: PubMed
ChEBI Ontology
Outgoing Tolypocladin C (CHEBI:223045) is a organic heterotricyclic compound (CHEBI:26979)
Tolypocladin C (CHEBI:223045) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2R,5S,7S,8R,9R,11S,12S,15S)-19-[(2S)-2-hydroxy-3-methoxy-3-methylbutyl]-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18,20,22-tetraene-8,12-diol