CHEBI:227575 - Irpeksolactin E

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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 Irpeksolactin E
ChEBI ID CHEBI:227575
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H46O5
Net Charge 0
Average Mass 486.693
Monoisotopic Mass 486.33452
InChI InChI=1S/C30H46O5/c1-17(2)9-8-10-18(26(34)35)23-24(32)25(33)30(7)20-11-12-21-27(3,4)22(31)14-15-28(21,5)19(20)13-16-29(23,30)6/h9,11,13,18,21-25,31-33H,8,10,12,14-16H2,1-7H3,(H,34,35)/t18-,21+,22+,23+,24+,25+,28-,29-,30-/m1/s1
InChIKey GHDTVZBJGVDJSG-CQLUYZPHSA-N
SMILES O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)=CC2)(C)[C@H]([C@H]1O)O)C)CCC=C(C)C
Metabolite of Species Details
Irpex lacteus (NCBI:txid5319) See: PubMed
ChEBI Ontology
Outgoing Irpeksolactin E (CHEBI:227575) is a triterpenoid (CHEBI:36615)
IUPAC Name
(2R)-6-methyl-2-[(3S,5R,10S,13R,14R,15R,16S,17R)-3,15,16-trihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid